N-cyclooctyl-2-oxo-1-phenylpyrrolidine-3-carboxamide

• ChemBase ID: 648676
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: C1(=O)N(CCC1C(=O)NC1CCCCCCC1)c1ccccc1
• Canonical SMILES: O=C(C1CCN(C1=O)c1ccccc1)NC1CCCCCCC1
• InChI: InChI=1S/C19H26N2O2/c22-18(20-15-9-5-2-1-3-6-10-15)17-13-14-21(19(17)23)16-11-7-4-8-12-16/h4,7-8,11-12,15,17H,1-3,5-6,9-10,13-14H2,(H,20,22)
• InChIKey: IQACXISRJWAFKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-2-oxo-1-phenylpyrrolidine-3-carboxamide
• IUPAC Traditional name: N-cyclooctyl-2-oxo-1-phenylpyrrolidine-3-carboxamide
• Synonyms: N-cyclooctyl-2-oxo-1-phenyl-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.118107
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1418455
• LogD (pH = 7.4): 3.1418445
• Log P: 3.1418455
• Molar Refractivity: 90.159 cm^3
• Polarizability: 35.21409 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.17
• LOG S: -4.08
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3