N-(dicyclopropylmethyl)-2-(dimethylamino)-2-(3-methylphenyl)acetamide

• ChemBase编号: 701088
• 分子式: C18H26N2O
• 平均质量: 286.41184
• 单一同位素质量: 286.20451346
• SMILES: C(=O)(NC(C1CC1)C1CC1)C(c1cc(ccc1)C)N(C)C
• Canonical SMILES: CN(C(c1cccc(c1)C)C(=O)NC(C1CC1)C1CC1)C
• InChI: InChI=1S/C18H26N2O/c1-12-5-4-6-15(11-12)17(20(2)3)18(21)19-16(13-7-8-13)14-9-10-14/h4-6,11,13-14,16-17H,7-10H2,1-3H3,(H,19,21)
• InChIKey: JNMTWRQKFSGJOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(dicyclopropylmethyl)-2-(dimethylamino)-2-(3-methylphenyl)acetamide
• IUPAC传统名: N-(dicyclopropylmethyl)-2-(dimethylamino)-2-(3-methylphenyl)acetamide
• 别名: N-(dicyclopropylmethyl)-2-(dimethylamino)-2-(3-methylphenyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.644098
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.2994554
• LogD (pH = 7.4): 2.8742657
• Log P: 3.1556587
• 摩尔折射率: 85.7449 cm^3
• 极化性: 33.635868 Å^3
• 极化表面积: 32.34 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: 1
• Log P: 3.07
• LOG S: -3.91
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 6