1.0 2010-04-08 22:06:21 UTC 2025-11-18 22:57:10 UTC FDB004692 Vanillyl octanamide Vanillyl octanamide is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Vanillyl octanamide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Vanillyl octanamide can be found in a number of food items such as green bell pepper, pepper (c. annuum), red bell pepper, and orange bell pepper, which makes vanillyl octanamide a potential biomarker for the consumption of these food products. C16H25NO3 279.38 279.183443669 4-hydroxy-3-methoxy-N-octylbenzene-1-carboximidic acid 4-hydroxy-3-methoxy-N-octylbenzenecarboximidic acid CCCCCCCCN=C(O)C1=CC(OC)=C(O)C=C1 InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-11-17-16(19)13-9-10-14(18)15(12-13)20-2/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19) CMUQEPIYTHQKDV-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzamides Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzamide Benzoic acid or derivatives Benzoyl Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary carboxylic acid amide logp 4.37 ALOGPS logs -4.11 ALOGPS solubility 2.16e-02 g/l ALOGPS logp 4.51 ChemAxon pka_strongest_acidic 8.41 ChemAxon pka_strongest_basic 5.2 ChemAxon iupac 4-hydroxy-3-methoxy-N-octylbenzene-1-carboximidic acid ChemAxon average_mass 279.38 ChemAxon mono_mass 279.183443669 ChemAxon smiles CCCCCCCCN=C(O)C1=CC(OC)=C(O)C=C1 ChemAxon formula C16H25NO3 ChemAxon inchi InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-11-17-16(19)13-9-10-14(18)15(12-13)20-2/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19) ChemAxon inchikey CMUQEPIYTHQKDV-UHFFFAOYSA-N ChemAxon polar_surface_area 62.05 ChemAxon refractivity 81.28 ChemAxon polarizability 33.4 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98244 Specdb::MsMs 98245 Specdb::MsMs 98246 Specdb::MsMs 163122 Specdb::MsMs 163123 Specdb::MsMs 163124 Specdb::MsMs 3600848 Specdb::MsMs 3600849 Specdb::MsMs 3600850 Specdb::MsMs 3600851 Specdb::MsMs 3600852 Specdb::MsMs 3600853 Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072