<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293957</id>
  <title nil="true"/>
  <common-name>1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-methylurea</common-name>
  <description>1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-methylurea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C14H23N3O3 and an average molecular weight of 281.35 g/mol.</description>
  <cas>38649-68-2</cas>
  <pubchem-id>217348</pubchem-id>
  <chemical-formula>C14H23N3O3</chemical-formula>
  <weight>281.35</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">2026-08-28T09:30:41Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:30:41Z</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>CC(C)NCC(COC1=CC=C(C=C1)NC(=O)NC)O</moldb-smiles>
  <moldb-formula>C14H23N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H23N3O3/c1-10(2)16-8-12(18)9-20-13-6-4-11(5-7-13)17-14(19)15-3/h4-7,10,12,16,18H,8-9H2,1-3H3,(H2,15,17,19)</moldb-inchi>
  <moldb-inchikey>ZWMOWFJMDHZCNJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">281.1739416</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</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>CHEM289850</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-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-methylurea</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>CED0245441</sync-id>
  <structure-inchikey>ZWMOWFJMDHZCNJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800002000200000000000040000100000000100000000000001000000000200000400000000000000000000200000000000000000000000000000000000000000002000000000020200000000100000200000000000000020000010000000010000000000000000000000000000000000000000000000800000040000400000000000000000080000000000800000000000000000000000000000000000000000000080000000000020004080000000000000000000000000000020000000200000000000000000000000000000000000200000000000000008000000000000040000000000400000000000000000600000000020200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������(������@(������@h�������@h�������@(������@h�������@h��������h��������(�������(�������h��������`�������`����������������������������� �	h�	
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	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:43Z</structure-indexed-at>
</compound>
