1.02010-04-08 22:15:09 UTC2019-11-26 03:19:14 UTCFDB020635Nb-LignoceroyltryptamineAlkaloid from seeds of Annona reticulata (custard apple) and Rollina mucosa (biriba). Nb-Lignoceroyltryptamine is found in alcoholic beverages and fruits.N-LignoceroyltryptamineNb-LignoceroyltryptamineNb-TetracosanoyltryptamineC34H58N2O510.8371510.454914488N-[2-(1H-indol-3-yl)ethyl]tetracosanamideN-[2-(1H-indol-3-yl)ethyl]tetracosanamide152766-94-4CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)LQPINJBBNVSTDE-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-alkylindolesOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolesAromatic heteropolycyclic compoundsAzacyclic compoundsBenzenoidsCarbonyl compoundsHeteroaromatic compoundsHydrocarbon derivativesN-acyl aminesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSecondary carboxylic acid amidesSubstituted pyrroles3-alkylindoleAromatic heteropolycyclic compoundAzacycleBenzenoidCarbonyl groupCarboxamide groupCarboxylic acid derivativeFatty acylFatty amideHeteroaromatic compoundHydrocarbon derivativeN-acyl-amineOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyrroleSecondary carboxylic acid amideSubstituted pyrrolelogp9.53logs-7.62solubility1.22e-05 g/lmelting_pointMp 120-123°logp11.34pka_strongest_acidic15.9pka_strongest_basic-0.25iupacN-[2-(1H-indol-3-yl)ethyl]tetracosanamideaverage_mass510.8371mono_mass510.454914488smilesCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2formulaC34H58N2OinchiInChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)inchikeyLQPINJBBNVSTDE-UHFFFAOYSA-Npolar_surface_area44.89refractivity161.06polarizability69.46rotatable_bond_count25acceptor_count1donor_count2physiological_charge0formal_charge0Specdb::CMs16779Specdb::MsMs303070Specdb::MsMs303071Specdb::MsMs303072Specdb::MsMs345937Specdb::MsMs345938Specdb::MsMs345939Specdb::MsMs2453233Specdb::MsMs2453234Specdb::MsMs2453235Specdb::MsMs2482879Specdb::MsMs2482880Specdb::MsMs2482881HMDB40819#<Reference:0x00005556755f38d8>Alcoholic beveragesUnknowngenericFruitsUnknowngeneric