1.0 2010-04-08 22:15:09 UTC 2019-11-26 03:19:14 UTC FDB020637 Nb-Hexacosanoyltryptamine Alkaloid from seeds of Annona reticulata (custard apple) and Rollina mucosa (biriba). Nb-Hexacosanoyltryptamine is found in alcoholic beverages and fruits. N-Cerotoyltryptamine Nb-Cerotoyltryptamine Nb-Hexacosanoyltryptamine C36H62N2O 538.8903 538.486214616 N-[2-(1H-indol-3-yl)ethyl]hexacosanamide N-[2-(1H-indol-3-yl)ethyl]hexacosanamide 152766-96-6 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2 InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39) RBGZJJPNEDSXQH-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Secondary carboxylic acid amide Substituted pyrrole logp 9.81 ALOGPS logs -7.68 ALOGPS solubility 1.14e-05 g/l ALOGPS logp 12.23 ChemAxon pka_strongest_acidic 15.9 ChemAxon pka_strongest_basic -0.25 ChemAxon iupac N-[2-(1H-indol-3-yl)ethyl]hexacosanamide ChemAxon average_mass 538.8903 ChemAxon mono_mass 538.486214616 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2 ChemAxon formula C36H62N2O ChemAxon inchi InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39) ChemAxon inchikey RBGZJJPNEDSXQH-UHFFFAOYSA-N ChemAxon polar_surface_area 44.89 ChemAxon refractivity 170.27 ChemAxon polarizability 73.77 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10746 Specdb::MsMs 289660 Specdb::MsMs 289661 Specdb::MsMs 289662 Specdb::MsMs 329140 Specdb::MsMs 329141 Specdb::MsMs 329142 Specdb::MsMs 2354964 Specdb::MsMs 2354965 Specdb::MsMs 2354966 Specdb::MsMs 2608044 Specdb::MsMs 2608045 Specdb::MsMs 2608046 HMDB40821 #<Reference:0x000055ce32e0d340> Alcoholic beverages Unknown generic Fruits Unknown generic