1.0 2020-03-10 17:02:03 UTC 2020-04-22 18:56:23 UTC BMDB0096152 BMDB96152 Norpropoxyphene 1,2-Diphenyl-4-(methylamino)-3-methyl-2-butanol propionate Norpropoxyphene #1 Norpropoxyphene #2 Norpropoxyphene maleate, (S-(r*,s*))-isomer Norpropoxyphene citrate, (S-(r*,s*))-isomer Norpropoxyphene maleate (1:1) Norpropoxyphene, (S-(r*,s*))-isomer Nordextropropoxyphene 3-Methyl-4-(methylamino)-1,2-diphenylbutan-2-yl propanoic acid Norpropoxyphene C21H27NO2 325.4446 325.204179113 3-methyl-4-(methylamino)-1,2-diphenylbutan-2-yl propanoate norpropoxyphene 66796-40-5 CCC(=O)OC(CC1=CC=CC=C1)(C(C)CNC)C1=CC=CC=C1 InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3 IKACRWYHQXOSGM-UHFFFAOYSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Organic compounds Phenylpropanoids and polyketides Stilbenes Stilbenes Amino acids and derivatives Aralkylamines Benzyloxycarbonyls Carbonyl compounds Carboxylic acid esters Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenylbutylamines Phenylpropanes Amine Amino acid or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylbutylamine Phenylpropane Secondary aliphatic amine Secondary amine Stilbene Aromatic homomonocyclic compounds logp 4.45 ALOGPS logs -5.25 ALOGPS logp 4.52 ChemAxon pka_strongest_basic 10.17 ChemAxon iupac 3-methyl-4-(methylamino)-1,2-diphenylbutan-2-yl propanoate ChemAxon average_mass 325.4446 ChemAxon mono_mass 325.204179113 ChemAxon smiles CCC(=O)OC(CC1=CC=CC=C1)(C(C)CNC)C1=CC=CC=C1 ChemAxon formula C21H27NO2 ChemAxon inchi InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3 ChemAxon inchikey IKACRWYHQXOSGM-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 97.59 ChemAxon polarizability 37.17 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 305608 Specdb::MsMs 305609 Specdb::MsMs 305610 Specdb::MsMs 349039 Specdb::MsMs 349040 Specdb::MsMs 349041 Specdb::MsMs 449287 Specdb::MsMs 449288 Specdb::MsMs 449289 Specdb::MsMs 449290 Specdb::MsMs 449291 Specdb::MsMs 2252425 Specdb::MsMs 2254051 Specdb::MsMs 2254522 Specdb::MsMs 2256062 Specdb::MsMs 2256449 Specdb::MsMs 2260154 Specdb::MsMs 2825959 Specdb::MsMs 2825960 Specdb::MsMs 2825961 Specdb::MsMs 2856972 Specdb::MsMs 2856973 Specdb::MsMs 2856974 Specdb::CMs 17884 Specdb::CMs 155904 17756 18804 FDB111686 Norpropoxyphene