N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2-dimethyl-2-(1H-pyrrol-1-yl)propanamide

• ChemBase ID: 576359
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: N1(C(=O)CC(C1)CN(C(=O)C(n1cccc1)(C)C)C)C1CCCC1
• Canonical SMILES: O=C1CC(CN1C1CCCC1)CN(C(=O)C(n1cccc1)(C)C)C
• InChI: InChI=1S/C19H29N3O2/c1-19(2,21-10-6-7-11-21)18(24)20(3)13-15-12-17(23)22(14-15)16-8-4-5-9-16/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3
• InChIKey: VBMMDICOWMWPBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2-dimethyl-2-(1H-pyrrol-1-yl)propanamide
• IUPAC Traditional name: N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2-dimethyl-2-(pyrrol-1-yl)propanamide
• Synonyms: N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2-dimethyl-2-(1H-pyrrol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8839253
• LogD (pH = 7.4): 1.8839256
• Log P: 1.8839256
• Molar Refractivity: 94.2289 cm^3
• Polarizability: 36.618397 Å^3
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.76
• LOG S: -3.12
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 5