N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase编号: 661712
• 分子式: C20H24N2O2
• 平均质量: 324.41676
• 单一同位素质量: 324.18377802
• SMILES: C(=O)(c1c(OCC(=C)C)cccc1)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)c1ccccc1OCC(=C)C)C
• InChI: InChI=1S/C20H24N2O2/c1-5-16-10-11-17(21-12-16)13-22(4)20(23)18-8-6-7-9-19(18)24-14-15(2)3/h6-12H,2,5,13-14H2,1,3-4H3
• InChIKey: ZFDNTZGLZCZAET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC传统名: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-[(2-methylprop-2-en-1-yl)oxy]benzamide
• 别名: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-[(2-methylprop-2-en-1-yl)oxy]benzamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.585608
• LogD (pH = 7.4): 3.6337876
• Log P: 3.6344407
• 摩尔折射率: 96.4134 cm^3
• 极化性: 36.94884 Å^3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.72
• LOG S: -3.44
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 7