1.0 2010-04-08 22:15:42 UTC 2019-11-26 03:20:25 UTC FDB021456 4,5-Dihydropiperlonguminine Alkaloid from fruits of Piper longum (long pepper). 4,5-Dihydropiperlonguminine is found in herbs and spices. 4,5-Dihydropiperlonguminine 5-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2-pentenamide, 9CI Da,b-Dihydropiperlonguminine N-Isobutyl-5-(3,4-methylenedioxyphenyl)-2-pentenamide, 8CI C16H21NO3 275.3428 275.152143543 (2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide (2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide 23512-53-0 CC(C)CNC(=O)\C=C\CCC1=CC=C2OCOC2=C1 InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+ CSGDXLXTJVRNEA-GQCTYLIASA-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 Benzenoids Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides 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 logp 3.27 ALOGPS logs -4.07 ALOGPS solubility 2.34e-02 g/l ALOGPS melting_point Mp 110° (synthetic) logp 3.23 ChemAxon pka_strongest_acidic 15.51 ChemAxon pka_strongest_basic 2.35 ChemAxon iupac (2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide ChemAxon average_mass 275.3428 ChemAxon mono_mass 275.152143543 ChemAxon smiles CC(C)CNC(=O)\C=C\CCC1=CC=C2OCOC2=C1 ChemAxon formula C16H21NO3 ChemAxon inchi InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+ ChemAxon inchikey CSGDXLXTJVRNEA-GQCTYLIASA-N ChemAxon polar_surface_area 47.56 ChemAxon refractivity 78.49 ChemAxon polarizability 31.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19452 Specdb::CMs 166356 Specdb::MsMs 309241 Specdb::MsMs 309242 Specdb::MsMs 309243 Specdb::MsMs 353617 Specdb::MsMs 353618 Specdb::MsMs 353619 Specdb::MsMs 2431225 Specdb::MsMs 2431226 Specdb::MsMs 2431227 Specdb::MsMs 2507662 Specdb::MsMs 2507663 Specdb::MsMs 2507664 HMDB41488 #<Reference:0x000055ce3197f630> Herbs and Spices Unknown generic