N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}-2-(pyrrolidin-3-yl)acetamide

• ChemBase ID: 551289
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C1(c2ccc(cc2)OC)(CNC(=O)CC2CNCC2)CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)CNC(=O)CC1CNCC1
• InChI: InChI=1S/C19H28N2O2/c1-23-17-6-4-16(5-7-17)19(9-2-3-10-19)14-21-18(22)12-15-8-11-20-13-15/h4-7,15,20H,2-3,8-14H2,1H3,(H,21,22)
• InChIKey: ZUDJZINMLUTJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}-2-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}-2-(pyrrolidin-3-yl)acetamide
• Synonyms: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}-2-pyrrolidin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.889077
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0979061
• LogD (pH = 7.4): -1.0054896
• Log P: 2.1428003
• Molar Refractivity: 91.7916 cm^3
• Polarizability: 36.22151 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.48
• LOG S: -3.63
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6