<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">322655</id>
  <title nil="true"/>
  <common-name>1-(4-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea</common-name>
  <description>1-(4-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea is a chemical compound with the formula C20H23N3O3. It has an average molecular weight of 353.40 g/mol.</description>
  <cas>76870-01-4</cas>
  <pubchem-id>3059611</pubchem-id>
  <chemical-formula>C20H23N3O3</chemical-formula>
  <weight>353.4</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">2026-08-29T22:55:35Z</created-at>
  <updated-at type="dateTime">2026-08-29T22:55:35Z</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=C(C=C1)NC(=O)NC2=CC=C(C=C2)OCC(=O)N3CCCC3</moldb-smiles>
  <moldb-formula>C20H23N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H23N3O3/c1-15-4-6-16(7-5-15)21-20(25)22-17-8-10-18(11-9-17)26-14-19(24)23-12-2-3-13-23/h4-11H,2-3,12-14H2,1H3,(H2,21,22,25)</moldb-inchi>
  <moldb-inchikey>AYSOVKCGYMYZQD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">353.1739416</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>CHEM318548</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-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]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>CED0273357</sync-id>
  <structure-inchikey>AYSOVKCGYMYZQD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000800002000000000000000000000100000002001000000000000000000000200000000000400000000000000000000000000000000000000000000000000000000000000000000020000000000100000200000000008000000000010000000010000000000000000000020100000000000000000040000800000040000400000000000000000080000000000000000000000000000000000000000000000000000000080000000000000000080000008000000000000000000000000000000000000000000000000000000000002000000200000000000080008100000000000040010000000480000000000000000602084000000000</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���h���h���h���h��� �� �	(��
 
� ��h��h��h���h���h��� ��������(��� ��������������h���h����B���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:27:07Z</structure-indexed-at>
</compound>
