{"ymdb_id":"YMDB16052","created_at":"2016-08-03T23:52:26.000Z","updated_at":"2016-09-10T00:52:26.000Z","name":"N-isopentylacetamide","cas":null,"state":null,"melting_point":null,"description":"N-isopentylacetamide, or n-(3-Methylbutyl)acetamide is found in alcoholic beverages. N-(3-Methylbutyl)acetamide is found in wines. N-(3-Methylbutyl)acetamide belongs to the family of Secondary Carboxylic Acid Amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"N-(3-methylbutyl)acetamide","traditional_iupac":"N-(3-methylbutyl)acetamide","logp":"0.804305848666667","pka":null,"alogps_solubility":"2.56e+01 g/l","alogps_logp":"1.18","alogps_logs":"-0.70","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"29.1","refractivity":"37.7848","polarizability":"15.638297755343885","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.4163220799124079","pka_strongest_acidic":"16.60474453081722","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}