314727 <common-name>1-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-nitrophenyl]butan-1-one</common-name> <description>1-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-nitrophenyl]butan-1-one is a chemical compound with the formula C18H28N2O4. It has an average molecular weight of 336.40 g/mol.</description> <cas nil="true"/> <pubchem-id>30306</pubchem-id> <chemical-formula>C18H28N2O4</chemical-formula> <weight>336.4</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">2026-08-29T11:51:36Z</created-at> <updated-at type="dateTime">2026-08-29T11:51:36Z</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>CCCC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OCCN(C(C)C)C(C)C</moldb-smiles> <moldb-formula>C18H28N2O4</moldb-formula> <moldb-inchi>InChI=1S/C18H28N2O4/c1-6-8-17(21)15-9-7-10-16(20(22)23)18(15)24-12-11-19(13(2)3)14(4)5/h7,9-10,13-14H,6,8,11-12H2,1-5H3</moldb-inchi> <moldb-inchikey>FSFAJISPMKKVMA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">336.2049074</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM310620</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>1-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-nitrophenyl]butan-1-one</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0265609</sync-id> <structure-inchikey>FSFAJISPMKKVMA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000200000800000000000000000000800000000002000000000000000001002000000000400002001000000000000000000000000000000000000000000000000000000000000000000000022000200004100001800000000400000000020010000000200000000004000000000000000000000000000000000000001000040000000800000000000000000000000001000000000000000000400000000000000000000840000080000000000000001080000080000000000000000000008000000000000000000000000000000040000800000000200004000000000000000010000000040000000000400000001001000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQcgKgAAAAEDBAgAKAAA AAMCCCAqAAAA/wMBCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYA YAAAAAMBBgBgAAAAAQMGAGAAAAABAwYAYAAAAAMBBgBgAAAAAQMGAGAAAAAB AwsAAQABAgACAwADBCgCAwUgBQZoDAYHaAwHCGgMCAloDAkKaAwHCyALDCgC Cw0gBg4gDg8ADxAAEBEAERIAEhMAEhQAERUAFRYAFRcACgVoDEIBAAAABgUK CQgHBhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:07Z</structure-indexed-at> </compound>