1.0 2016-06-03 12:18:57 UTC 2026-08-22 05:07:30 UTC [1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]- SmallMolecule [1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]- is an organic compound with the formula C25H27N3O and an average molecular weight of 385.51 g/mol. [1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]- belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified as a benzenoid. This substance has been found in or released from one recorded source, specifically drinking water and water supply. The recorded route of exposure for this compound is oral. C25H27N3O 385.511 385.215412501 4'-({2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl}methyl)-[1,1'-biphenyl]-2-carbonitrile 4'-({2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl}methyl)-[1,1'-biphenyl]-2-carbonitrile 138401-24-8 CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C#N InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3 KWEQEHOPDHARIA-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Biphenylcarbonitriles Alpha amino acids and derivatives Azacyclic compounds Benzonitriles Carbonyl compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Imidazolinones Nitriles Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 2-imidazoline Alpha-amino acid or derivatives Amidine Aromatic heteropolycyclic compound Azacycle Benzonitrile Biphenylcarbonitrile Carbonitrile Carbonyl group Carboximidamide Carboxylic acid amidine Carboxylic acid derivative Hydrocarbon derivative Imidazolinone Nitrile Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic heteropolycyclic compounds Detected and Not Quantified logp 4.7 logp 4.95 ALOGPS logs -4.86 ALOGPS solubility 5.30e-03 g/l ALOGPS logp 5.52 ChemAxon pka_strongest_basic 3.74 ChemAxon iupac 4'-({2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl}methyl)-[1,1'-biphenyl]-2-carbonitrile ChemAxon average_mass 385.511 ChemAxon mono_mass 385.215412501 ChemAxon smiles CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C#N ChemAxon formula C25H27N3O ChemAxon inchi InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3 ChemAxon inchikey KWEQEHOPDHARIA-UHFFFAOYSA-N ChemAxon polar_surface_area 56.46 ChemAxon refractivity 115.08 ChemAxon polarizability 45.12 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727532d9a0> 9843116 8018831