N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 642409
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: N1(C(=O)CCC1)c1ccc(C(=O)N[C@H]2[C@H](OCc3ccccc3)CCC2)cc1
• Canonical SMILES: O=C1CCCN1c1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C23H26N2O3/c26-22-10-5-15-25(22)19-13-11-18(12-14-19)23(27)24-20-8-4-9-21(20)28-16-17-6-2-1-3-7-17/h1-3,6-7,11-14,20-21H,4-5,8-10,15-16H2,(H,24,27)/t20-,21-/m1/s1
• InChIKey: PGFQMVHNGKAIBD-NHCUHLMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.920972
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0237393
• LogD (pH = 7.4): 3.0237393
• Log P: 3.0237393
• Molar Refractivity: 108.0458 cm^3
• Polarizability: 41.59386 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -4.52
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6