1.0 2016-06-03 12:29:03 UTC 2026-03-26 20:37:55 UTC (2S)-N, N’-dibutyl-2-(2-ethylhexanamido)pentanediamide SmallMolecule (2S)-N, N’-dibutyl-2-(2-ethylhexanamido)pentanediamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C21H41N3O3 and an average molecular weight of 383.58 g/mol. It is identified as being found in or released from one recorded source, which is drinking water and water supply. The recorded exposure route for this substance is oral. C21H41N3O3 383.577 383.314792192 N,N'-dibutyl-2-[(2-ethyl-1-hydroxyhexylidene)amino]pentanediimidic acid N,N'-dibutyl-2-[(2-ethyl-1-hydroxyhexylidene)amino]pentanediimidic acid 486455-65-6 CCCCN=C(O)CCC(N=C(O)C(CC)CCCC)C(O)=NCCCC InChI=1S/C21H41N3O3/c1-5-9-12-17(8-4)20(26)24-18(21(27)23-16-11-7-3)13-14-19(25)22-15-10-6-2/h17-18H,5-16H2,1-4H3,(H,22,25)(H,23,27)(H,24,26) OVUBDKNXJHOLMI-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamine and derivatives Alpha amino acid amides Carbonyl compounds Hydrocarbon derivatives N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Carbonyl group Carboxamide group Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aliphatic acyclic compounds Detected and Not Quantified logp 4.10 ALOGPS logs -4.63 ALOGPS solubility 8.92e-03 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic -4.2 ChemAxon pka_strongest_basic 12.47 ChemAxon iupac N,N'-dibutyl-2-[(2-ethyl-1-hydroxyhexylidene)amino]pentanediimidic acid ChemAxon average_mass 383.577 ChemAxon mono_mass 383.314792192 ChemAxon smiles CCCCN=C(O)CCC(N=C(O)C(CC)CCCC)C(O)=NCCCC ChemAxon formula C21H41N3O3 ChemAxon inchi InChI=1S/C21H41N3O3/c1-5-9-12-17(8-4)20(26)24-18(21(27)23-16-11-7-3)13-14-19(25)22-15-10-6-2/h17-18H,5-16H2,1-4H3,(H,22,25)(H,23,27)(H,24,26) ChemAxon inchikey OVUBDKNXJHOLMI-UHFFFAOYSA-N ChemAxon polar_surface_area 97.77 ChemAxon refractivity 111.09 ChemAxon polarizability 46.83 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f723c0cf020> 71498798 28593276