N-cyclopentyl-2-(2-oxopyrrolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide

• ChemBase编号: 734630
• 分子式: C21H26N2O2
• 平均质量: 338.44334
• 单一同位素质量: 338.19942808
• SMILES: C(=O)(C(N1C(=O)CCC1)C)N(C1CCCC1)CC#Cc1ccccc1
• Canonical SMILES: O=C(C(N1CCCC1=O)C)N(C1CCCC1)CC#Cc1ccccc1
• InChI: InChI=1S/C21H26N2O2/c1-17(22-15-8-14-20(22)24)21(25)23(19-12-5-6-13-19)16-7-11-18-9-3-2-4-10-18/h2-4,9-10,17,19H,5-6,8,12-16H2,1H3
• InChIKey: SLMOECWFYJYWES-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-2-(2-oxopyrrolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide
• IUPAC传统名: N-cyclopentyl-2-(2-oxopyrrolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide
• 别名: N-cyclopentyl-2-(2-oxopyrrolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8842428
• LogD (pH = 7.4): 2.8842428
• Log P: 2.8842428
• 摩尔折射率: 96.0064 cm^3
• 极化性: 37.803417 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.01
• LOG S: -4.24
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6