N-[2-(dimethylamino)ethyl]-N-ethyl-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase编号: 620950
• 分子式: C17H26N2O2
• 平均质量: 290.40054
• 单一同位素质量: 290.19942808
• SMILES: C(=O)(N(CCN(C)C)CC)c1ccc(OCC(=C)C)cc1
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)OCC(=C)C)CCN(C)C
• InChI: InChI=1S/C17H26N2O2/c1-6-19(12-11-18(4)5)17(20)15-7-9-16(10-8-15)21-13-14(2)3/h7-10H,2,6,11-13H2,1,3-5H3
• InChIKey: IBDOAKTWAIBNMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-N-ethyl-4-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-N-ethyl-4-[(2-methylprop-2-en-1-yl)oxy]benzamide
• 别名: N-[2-(dimethylamino)ethyl]-N-ethyl-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

理论计算性质

JChem

• Log P: 2.4636304
• 摩尔折射率: 87.6054 cm^3
• 极化性: 33.539474 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.39068443
• LogD (pH = 7.4): 1.3646964

Provided by Chembridge

• Log P: 3.2
• LOG S: -4.05
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 8
• 质子受体: 3
• 质子供体: 0