4-(cyclopentylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

• ChemBase ID: 821199
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: N1(C(=O)CC(C1)NC1CCCC1)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CC1=O)NC1CCCC1
• InChI: InChI=1S/C18H26N2O2/c1-22-17-8-6-14(7-9-17)10-11-20-13-16(12-18(20)21)19-15-4-2-3-5-15/h6-9,15-16,19H,2-5,10-13H2,1H3
• InChIKey: VNILENUFZWZPNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• IUPAC Traditional name: 4-(cyclopentylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• Synonyms: 4-(cyclopentylamino)-1-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.91569954
• LogD (pH = 7.4): 0.15920553
• Log P: 2.260934
• Molar Refractivity: 87.0382 cm^3
• Polarizability: 34.37935 Å^3
• Polar Surface Area: 41.57 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: 3.56
• LOG S: -2.03
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5