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

• ChemBase ID: 862734
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: N1(C(=O)CC(C1)NC(=O)Cc1ccccc1)CC1CCCCC1
• Canonical SMILES: O=C(Cc1ccccc1)NC1CC(=O)N(C1)CC1CCCCC1
• InChI: InChI=1S/C19H26N2O2/c22-18(11-15-7-3-1-4-8-15)20-17-12-19(23)21(14-17)13-16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,22)
• InChIKey: YTCNPWNYOBAZHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.717846
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3856585
• LogD (pH = 7.4): 2.3856585
• Log P: 2.3856585
• Molar Refractivity: 89.9303 cm^3
• Polarizability: 35.22481 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1
• Log P: 3.91
• LOG S: -3.4