287933 <common-name>5-amino-n-propan-2-yl-2-prop-2-ynoxybenzamide</common-name> <description>5-amino-n-propan-2-yl-2-prop-2-ynoxybenzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H16N2O2 and an average molecular weight of 232.28 g/mol.</description> <cas>30533-78-9</cas> <pubchem-id>207700</pubchem-id> <chemical-formula>C13H16N2O2</chemical-formula> <weight>232.28</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">2026-08-28T00:37:55Z</created-at> <updated-at type="dateTime">2026-08-28T00:37:55Z</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)NC(=O)C1=C(C=CC(=C1)N)OCC#C</moldb-smiles> <moldb-formula>C13H16N2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H16N2O2/c1-4-7-17-12-6-5-10(14)8-11(12)13(16)15-9(2)3/h1,5-6,8-9H,7,14H2,2-3H3,(H,15,16)</moldb-inchi> <moldb-inchikey>OGDGZQSGBWPPIX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">232.1211778</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM283826</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>5-amino-n-propan-2-yl-2-prop-2-ynoxybenzamide</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>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0239702</sync-id> <structure-inchikey>OGDGZQSGBWPPIX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000200000000800200000400000000000000000000000000000000000000001000000000000000000000000000000000000000000000000002000800000000000200000000000000000000000120000020000100000000000000000000000000010000000000000000100080000010000000000000020000000000000800000040000000000000000000000080009000000000000000000000000000000000000000000000000000080010080000000000084000000000000000000000000000080000000000010000000000000000000000000000000200200000000010000000000000000040000000000600000000000020000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>400000000922060080000000010820000000040000052000003420400200000c40020050008000000000410000800000042100a0808c30010000443000a04000c4110400020006000090100000621000000001804000013240000622000209000c280406004082000000000054300001200080100121e0047118000002110002004000180c4000080800020008080008111c0012444014820000080000400080004300001000c00000000948057c211002c000008841084010000200084002100000000404400012018002040441028000000200020040000d0000000801010000000a1000010000000000024002200000102010844000220008008050000406</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQcAaAAA AAMBAggAKAAAAAMCBgBgAAAAAgIGACgAAAACBAYAaAAAAAIDAQsAAQABAgAB AwADBCAEBSgCBAYgBgdoDAcIaAwICWgMCQpoDAoLaAwKDCAHDSANDgAODwAP EAgDCwZoDEIBAAAABgYLCgkIBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:08Z</structure-indexed-at> </compound>