<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309285</id>
  <title nil="true"/>
  <common-name>1-cyclohexyl-1-methyl-3-(3,4,5-trimethoxyphenyl)urea</common-name>
  <description>1-cyclohexyl-1-methyl-3-(3,4,5-trimethoxyphenyl)urea is a chemical compound with the formula C17H26N2O4. It has an average molecular weight of 322.40 g/mol.</description>
  <cas>68060-80-0</cas>
  <pubchem-id>3051870</pubchem-id>
  <chemical-formula>C17H26N2O4</chemical-formula>
  <weight>322.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T03:45:07Z</created-at>
  <updated-at type="dateTime">2026-08-29T03:45:07Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN(C1CCCCC1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC</moldb-smiles>
  <moldb-formula>C17H26N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C17H26N2O4/c1-19(13-8-6-5-7-9-13)17(20)18-12-10-14(21-2)16(23-4)15(11-12)22-3/h10-11,13H,5-9H2,1-4H3,(H,18,20)</moldb-inchi>
  <moldb-inchikey>RXZIJZZFPRXOCB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">322.1892573</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM305178</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-cyclohexyl-1-methyl-3-(3,4,5-trimethoxyphenyl)urea</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260284</sync-id>
  <structure-inchikey>RXZIJZZFPRXOCB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000080000000000000000000000000140000000000000400000002000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000020000000000014000000040200000104020000000020000000000000000000000100800000041000000000000000000000080100000000000000000000000000000000000000004000000000000080000000000100000000000000100000000000080000000000000210000000000000000000000000000008000000000000000000000008000000000000040000800000400000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMHACgAAAAD
AwYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA
AAACAgYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGQCgAAAADBAZAaAAAAAMD
AQZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQgAKAAAAAMCBgBg
AAAAAQMIACgAAAADAgYAYAAAAAEDCAAoAAAAAwIGAGAAAAABAwsAAQABAgAC
AwADBAAEBQAFBgAGBwABCCAICSgCCAogCgsgCwxoDAwNaAwNDmgMDg9oDA8Q
aAwPESAREgAOEyATFAANFSAVFgAHAgAQC2gMQgIAAAAGAwQFBgcCBgwNDg8Q
CxcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:01Z</structure-indexed-at>
</compound>
