<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">288265</id>
  <title nil="true"/>
  <common-name>[3-(dimethylcarbamoylamino)phenyl] n-prop-2-enylcarbamate</common-name>
  <description>[3-(dimethylcarbamoylamino)phenyl] n-prop-2-enylcarbamate belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C13H17N3O3 and an average molecular weight of 263.29 g/mol.</description>
  <cas>4849-33-6</cas>
  <pubchem-id>99415</pubchem-id>
  <chemical-formula>C13H17N3O3</chemical-formula>
  <weight>263.29</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">2026-08-28T01:07:21Z</created-at>
  <updated-at type="dateTime">2026-08-28T01:07:21Z</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(C)C(=O)NC1=CC(=CC=C1)OC(=O)NCC=C</moldb-smiles>
  <moldb-formula>C13H17N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C13H17N3O3/c1-4-8-14-13(18)19-11-7-5-6-10(9-11)15-12(17)16(2)3/h4-7,9H,1,8H2,2-3H3,(H,14,18)(H,15,17)</moldb-inchi>
  <moldb-inchikey>YUWLVEREVILSIW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">263.1269914</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM284158</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>[3-(dimethylcarbamoylamino)phenyl] n-prop-2-enylcarbamate</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>CED0240023</sync-id>
  <structure-inchikey>YUWLVEREVILSIW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000008144000000000000000000000200000000200000000000000000000000000000000000000000000000000000000010200000000000000000000020000000000321000000000000000400000000010000000000000000104000000000000008000000000000000000000001000040000400800000000000000080100000000000020000000000000000000000000000000000000200080000002000100000000000000000000000000000000000000000000000000000040400000000000000000040000202000000000000008000000000000040000040000400000001000004000000000000000000</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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	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:01:22Z</structure-indexed-at>
</compound>
