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2-(2-hexyldecyloxy)benzamide

fo-f89ad42a69a5439c

Identity

Type
Neutral molecule
CAS
202483-62-3
EC
431-230-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-(2-hexyldecyloxy)benzamide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CMQJSECIJIYKFU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25)
IUPAC name chemrof:IUPAC_name 2-(2-hexyldecyloxy)benzamide
Molecular formula chemrof:molecular_formula C23H39NO2
Molecular mass chemrof:molecular_mass 361.57
Monoisotopic mass chemrof:monoisotopic_mass 361.298079
SMILES string chemrof:smiles_string CCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=202483-62-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.954 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50595916 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.805.531G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18740353 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72482315 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4a6bc35a-979e-4ac4-9a61-b2cbd402dd65 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
eac86ae6-d7d1-4a2a-9f6c-778500caa655 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
70666815-f758-4303-9ab2-ec2f54ba0ff3 Environmental → Air → Indoor EF 3.1 kg 4
4d35ecee-e593-441a-b526-859c090fefa1 Environmental → Air → Long-term EF 3.1 kg 0
8e8d5e76-daf8-4a03-96c7-898bbe4a3c03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
73302194-c650-4fa5-bfd7-60943fa9c180 Environmental → Air → Unknown EF 3.1 kg 4
518df71b-eba8-4154-9586-b747f0d7f43e Environmental → Ground → Agricultural EF 3.1 kg 4
6dd452bf-c33e-4402-9975-5b9ab2fb51c6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
910b4148-0022-46d3-ae49-bfab4430ebd1 Environmental → Ground → Unknown EF 3.1 kg 4
152864ad-51cd-45af-83ce-0e3744c3188d Environmental → Water → Long-term EF 3.1 kg 0
985e3b31-9585-4a9b-8919-c23f2ed4bd3a Environmental → Water → Ocean EF 3.1 kg 4
cbfa52bc-70c0-4eba-bd99-49b3f22ef2ff Environmental → Water → Surface water EF 3.1 kg 4
ad7f8b0b-90fd-4713-9171-821514249770 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f89ad42a69a5439c",
  "prefLabel": [
    {
      "@value": "2-(2-hexyldecyloxy)benzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[(2-Hexyldecyl)oxy]benzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=202483-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzamide, 2-[(2-hexyldecyl)oxy]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=202483-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C23H39NO2"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          ]
        }
      ]
    },
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      ],
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      },
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      "provenance": [
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        },
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25)": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-(2-hexyldecyloxy)benzamide"
        ]
      },
      "attested_by": {
        "2-(2-hexyldecyloxy)benzamide": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O"
          ]
        }
      ],
      "attested_by": {
        "361.57": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)COC1=CC=CC=C1C(=O)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O"
          ]
        }
      ],
      "attested_by": {
        "361.298079": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.805.531G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[202483-62-3]"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[202483-62-3]"
      }
    },
    {
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        ],
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      }
    },
    {
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[202483-62-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72482315",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[202483-62-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "152864ad-51cd-45af-83ce-0e3744c3188d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "202483-62-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=202483-62-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
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      "rdfs:seeAlso": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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