<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">288868</id>
  <title nil="true"/>
  <common-name>1-carbamoyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methylphenyl)urea</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3059273</pubchem-id>
  <chemical-formula>C13H19N3O3</chemical-formula>
  <weight>265.31</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">2026-08-28T02:05:25Z</created-at>
  <updated-at type="dateTime">2026-08-28T02:05:25Z</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>CC1=CC=CC=C1NC(=O)N(CC(C)(C)O)C(=O)N</moldb-smiles>
  <moldb-formula>C13H19N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C13H19N3O3/c1-9-6-4-5-7-10(9)15-12(18)16(11(14)17)8-13(2,3)19/h4-7,19H,8H2,1-3H3,(H2,14,17)(H,15,18)</moldb-inchi>
  <moldb-inchikey>LQRQZIFARSYOBP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">265.1426415</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</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>CHEM284761</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-carbamoyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methylphenyl)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>CED0240581</sync-id>
  <structure-inchikey>LQRQZIFARSYOBP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000002000000800000000000040000000000000000000000000000000000000000000800000800020000000000010000000000000000000000000000000000000000000000020200000000000000000000000000000000000010000000000010000004000000000000000000000000000000000000000000040000000800000000000000080001000000100000080000000000000000040000000000000200000080100000000000000020000000000000000000000000000000000000000000000008000000000008000002000000200000004000000008020000000000040000000080400000000000000000001000010000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@h�������@h�������@(�������h��������(�������(�������(�������`������� ������`�������`�������`�������(�������(�������h������������h���h���h���h���h��� �� �	(��
 
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� ��(��� ��h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:01:56Z</structure-indexed-at>
</compound>
