N-cyclopentyl-2-(2-methoxyethoxy)-N-(3-phenylprop-2-yn-1-yl)acetamide

• ChemBase编号: 569052
• 分子式: C19H25NO3
• 平均质量: 315.4067
• 单一同位素质量: 315.18344367
• SMILES: C(#Cc1ccccc1)CN(C(=O)COCCOC)C1CCCC1
• Canonical SMILES: COCCOCC(=O)N(C1CCCC1)CC#Cc1ccccc1
• InChI: InChI=1S/C19H25NO3/c1-22-14-15-23-16-19(21)20(18-11-5-6-12-18)13-7-10-17-8-3-2-4-9-17/h2-4,8-9,18H,5-6,11-16H2,1H3
• InChIKey: BFCFOGLKGXTWAS-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 19.671259
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7489858
• LogD (pH = 7.4): 2.7489858
• Log P: 2.7489858
• 摩尔折射率: 88.4139 cm^3
• 极化性: 35.02438 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.65
• LOG S: -3.76
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 9