<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303427</id>
  <title nil="true"/>
  <common-name>4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-n-[(4-methylphenyl)methyl]butanamide</common-name>
  <description>4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-n-[(4-methylphenyl)methyl]butanamide belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C16H23NO4 and an average molecular weight of 293.36 g/mol.</description>
  <cas>135726-57-7</cas>
  <pubchem-id>3077847</pubchem-id>
  <chemical-formula>C16H23NO4</chemical-formula>
  <weight>293.36</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">2026-08-28T20:42:14Z</created-at>
  <updated-at type="dateTime">2026-08-28T20:42:14Z</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)CNC(=O)C(CCO)C2(OCCO2)C</moldb-smiles>
  <moldb-formula>C16H23NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C16H23NO4/c1-12-3-5-13(6-4-12)11-17-15(19)14(7-8-18)16(2)20-9-10-21-16/h3-6,14,18H,7-11H2,1-2H3,(H,17,19)</moldb-inchi>
  <moldb-inchikey>OYFSXHIBKCTARJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">293.1627082</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.9</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>CHEM299320</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>4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-n-[(4-methylphenyl)methyl]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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Toluenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0254618</sync-id>
  <structure-inchikey>OYFSXHIBKCTARJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000008000000800000000000000000000000000004000002001000010000000000000200000000000000000000000000000000000000004000000000000000000000010400000000000000020020800000000000000000001000010002000000010000000000000100000000000000020000020000000000000000400400000448000000000000000000000080000000000000000000000000000020000000000000000000000000080000000000000000000000000000000002000000000000040000000000000000000040000000000000002000000220100000000000000100000000000040000000000480000000000000000000000000000000</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����B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:12:47Z</structure-indexed-at>
</compound>
