1.0 2010-04-08 22:09:40 UTC 2018-05-28 23:30:34 UTC FDB011486 Retrofractamide C Alkaloid from Piper retrofractum (Javanese long pepper). Retrofractamide C C20H27NO3 329.4333 329.199093735 (2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,8-dienamide (2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,8-dienamide 96386-33-3 CC(C)CNC(=O)\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1 InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+ PAXQNYHJDFKFEU-FIFLTTCUSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Styrenes Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary carboxylic acid amide Styrene logp 4.87 ALOGPS logs -5.44 ALOGPS solubility 1.19e-03 g/l ALOGPS melting_point Mp 120° logp 4.73 ChemAxon pka_strongest_acidic 16.39 ChemAxon pka_strongest_basic 2.35 ChemAxon iupac (2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,8-dienamide ChemAxon average_mass 329.4333 ChemAxon mono_mass 329.199093735 ChemAxon smiles CC(C)CNC(=O)\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1 ChemAxon formula C20H27NO3 ChemAxon inchi InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+ ChemAxon inchikey PAXQNYHJDFKFEU-FIFLTTCUSA-N ChemAxon polar_surface_area 47.56 ChemAxon refractivity 98.01 ChemAxon polarizability 39.6 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16597 Specdb::CMs 159906 Specdb::MsMs 48210 Specdb::MsMs 48211 Specdb::MsMs 48212 Specdb::MsMs 121317 Specdb::MsMs 121318 Specdb::MsMs 121319 Specdb::MsMs 2751346 Specdb::MsMs 2751347 Specdb::MsMs 2751348 Specdb::MsMs 2930325 Specdb::MsMs 2930326 Specdb::MsMs 2930327 HMDB33448 #<Reference:0x000055ce32f97a58>