N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-2-phenylacetamide

• ChemBase ID: 461978
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: N1(C(=O)CC(NC(=O)C(=O)c2ccccc2)C1)CC1CCCCC1
• Canonical SMILES: O=C1CC(CN1CC1CCCCC1)NC(=O)C(=O)c1ccccc1
• InChI: InChI=1S/C19H24N2O3/c22-17-11-16(13-21(17)12-14-7-3-1-4-8-14)20-19(24)18(23)15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2,(H,20,24)
• InChIKey: DIHGLADZDXUUGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-2-phenylacetamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-2-phenylacetamide
• Synonyms: N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-2-oxo-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.463951
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2651517
• LogD (pH = 7.4): 2.2651486
• Log P: 2.265152
• Molar Refractivity: 90.8204 cm^3
• Polarizability: 35.281723 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.98
• LOG S: -3.22
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 5