<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365423</id>
  <title nil="true"/>
  <common-name>2-ethyl-3-methyl-n-(2,2,2-trichloro-1-hydroxyethyl)butanamide</common-name>
  <description>2-ethyl-3-methyl-n-(2,2,2-trichloro-1-hydroxyethyl)butanamide is a compound with the formula C9H16Cl3NO2. It has an average molecular weight of 276.60 g/mol.</description>
  <cas>64037-69-0</cas>
  <pubchem-id>46433</pubchem-id>
  <chemical-formula>C9H16Cl3NO2</chemical-formula>
  <weight>276.6</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">2026-09-01T15:59:47Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:59:47Z</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>CCC(C(C)C)C(=O)NC(C(Cl)(Cl)Cl)O</moldb-smiles>
  <moldb-formula>C9H16Cl3NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H16Cl3NO2/c1-4-6(5(2)3)7(14)13-8(15)9(10,11)12/h5-6,8,15H,4H2,1-3H3,(H,13,14)</moldb-inchi>
  <moldb-inchikey>QUMOGDHLKCDWQZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">275.024662</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</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>CHEM361316</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>2-ethyl-3-methyl-n-(2,2,2-trichloro-1-hydroxyethyl)butanamide</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty amides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315377</sync-id>
  <structure-inchikey>QUMOGDHLKCDWQZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000002400000000000001000000000000110000000000001002000000000000000000000000000000000000000000000000000400000000000000000400000000000000000020000000000000000000000000080000040000110000000000000001000000000000000000000000000000000000100000200040000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000001000800000000000000000000000000000000010000000000000000000000400000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������(�������(�������h��������`������� ������ ������ ������ ������`��������������������������(��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:29Z</structure-indexed-at>
</compound>
