1.0 2010-04-08 22:05:08 UTC 2019-11-26 02:56:42 UTC FDB001870 Piperchabamide D Piperchabamide d is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Piperchabamide d can be found in pepper (spice), which makes piperchabamide d a potential biomarker for the consumption of this food product. C22H31NO3 357.4864 357.230393863 (2E,10E)-11-(2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)undeca-2,10-dienamide (2E,10E)-11-(2H-1,3-benzodioxol-5-yl)-N-(sec-butyl)undeca-2,10-dienamide 807618-24-2 CCC(C)NC(=O)\C=C\CCCCCC\C=C\C1=CC=C2OCOC2=C1 InChI=1S/C22H31NO3/c1-3-18(2)23-22(24)13-11-9-7-5-4-6-8-10-12-19-14-15-20-21(16-19)26-17-25-20/h10-16,18H,3-9,17H2,1-2H3,(H,23,24)/b12-10+,13-11+ ZPWYMHRULDAEAS-DCIPZJNNSA-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 5.95 ALOGPS logs -5.95 ALOGPS solubility 3.97e-04 g/l ALOGPS logp 5.67 ChemAxon pka_strongest_acidic 16.37 ChemAxon pka_strongest_basic 2.24 ChemAxon iupac (2E,10E)-11-(2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)undeca-2,10-dienamide ChemAxon average_mass 357.4864 ChemAxon mono_mass 357.230393863 ChemAxon smiles CCC(C)NC(=O)\C=C\CCCCCC\C=C\C1=CC=C2OCOC2=C1 ChemAxon formula C22H31NO3 ChemAxon inchi InChI=1S/C22H31NO3/c1-3-18(2)23-22(24)13-11-9-7-5-4-6-8-10-12-19-14-15-20-21(16-19)26-17-25-20/h10-16,18H,3-9,17H2,1-2H3,(H,23,24)/b12-10+,13-11+ ChemAxon inchikey ZPWYMHRULDAEAS-DCIPZJNNSA-N ChemAxon polar_surface_area 47.56 ChemAxon refractivity 107.16 ChemAxon polarizability 43.37 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51234 Specdb::MsMs 51235 Specdb::MsMs 51236 Specdb::MsMs 129597 Specdb::MsMs 129598 Specdb::MsMs 129599 Specdb::MsMs 3598852 Specdb::MsMs 3598853 Specdb::MsMs 3598854 Specdb::MsMs 3598855 Specdb::MsMs 3598856 Specdb::MsMs 3598857 Pepper (Spice) Type 1 specific Piper nigrum 13216