<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365454</id>
  <title nil="true"/>
  <common-name>(e)-2-tert-butyl-n-carbamoylbut-2-enamide</common-name>
  <description>(e)-2-tert-butyl-n-carbamoylbut-2-enamide is a chemical compound with the formula C9H16N2O2. It has an average molecular weight of 184.24 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6447723</pubchem-id>
  <chemical-formula>C9H16N2O2</chemical-formula>
  <weight>184.24</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">2026-09-01T16:02:56Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:02:56Z</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(C(=O)NC(=O)N)C(C)(C)C</moldb-smiles>
  <moldb-formula>C9H16N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H16N2O2/c1-5-6(9(2,3)4)7(12)11-8(10)13/h5H,1-4H3,(H3,10,11,12,13)/b6-5-</moldb-inchi>
  <moldb-inchikey>PINGGAYTIFWXIY-WAYWQWQTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">184.1211778</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM361347</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>(e)-2-tert-butyl-n-carbamoylbut-2-enamide</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>Organic acids and derivatives</superklass>
  <klass>Organic carbonic acids and derivatives</klass>
  <subklass>Ureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315408</sync-id>
  <structure-inchikey>PINGGAYTIFWXIY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000800000000000000000000000000000002000000000000000000000000000000800000000000000000000000000000000000018000000000000000000000000020000000000200000000000000000000000000010000000008000000000000000000080000000000000000000000000000000040000000000000010000000080001000000000200000000000000000000000100000000000000000000000000000002000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002400000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������h��������(�������(�������(�������h��������(�������(�������h�������� ������`�������`�������`�����������(��� ��(��� �� ��(��� �	�	
�	��	��B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:31Z</structure-indexed-at>
</compound>
