2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-methylphenyl)acetamide

• ChemBase编号: 563543
• 分子式: C20H27N3O
• 平均质量: 325.44788
• 单一同位素质量: 325.2154125
• SMILES: C(=O)(C(c1c(C)cccc1)N(C)C)N(Cc1nc(cc(c1)C)C)C
• Canonical SMILES: Cc1cc(nc(c1)C)CN(C(=O)C(c1ccccc1C)N(C)C)C
• InChI: InChI=1S/C20H27N3O/c1-14-11-16(3)21-17(12-14)13-23(6)20(24)19(22(4)5)18-10-8-7-9-15(18)2/h7-12,19H,13H2,1-6H3
• InChIKey: JMTDUPJSWNPVTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
• 别名: 2-(dimethylamino)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.6910357
• LogD (pH = 7.4): 2.6575627
• Log P: 2.9914773
• 摩尔折射率: 98.6536 cm^3
• 极化性: 38.112946 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.18
• LOG S: -2.99
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 5