N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide

• ChemBase编号: 720678
• 分子式: C16H18N2O
• 平均质量: 254.32692
• 单一同位素质量: 254.14191321
• SMILES: C(=O)(N(C)C)Cc1ccc(c2cc(ncc2)C)cc1
• Canonical SMILES: Cc1nccc(c1)c1ccc(cc1)CC(=O)N(C)C
• InChI: InChI=1S/C16H18N2O/c1-12-10-15(8-9-17-12)14-6-4-13(5-7-14)11-16(19)18(2)3/h4-10H,11H2,1-3H3
• InChIKey: OHOAQKMDJMKHER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide
• IUPAC传统名: N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide
• 别名: N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide

理论计算性质

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 1.8
• LOG S: -2.59
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 3

JChem

• 质子供体: 0
• LogD (pH = 5.5): 1.3749199
• LogD (pH = 7.4): 1.8023034
• Log P: 1.8123267
• 摩尔折射率: 76.552 cm^3
• 极化性: 30.765772 Å^3
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 2