N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase编号: 469322
• 分子式: C20H24N2O2
• 平均质量: 324.41676
• 单一同位素质量: 324.18377802
• SMILES: n1(c(=O)cccc1C)CCC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCn1c(C)cccc1=O
• InChI: InChI=1S/C20H24N2O2/c1-15-7-5-12-20(24)22(15)14-13-19(23)21(2)18-11-6-9-16-8-3-4-10-17(16)18/h3-5,7-8,10,12,18H,6,9,11,13-14H2,1-2H3
• InChIKey: ZILXGEOZGYNJQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC传统名: N-methyl-3-(2-methyl-6-oxopyridin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• 别名: N-methyl-3-(6-methyl-2-oxopyridin-1(2H)-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.5112822
• LogD (pH = 7.4): 2.5112822
• Log P: 2.5112822
• 摩尔折射率: 97.9551 cm^3
• 极化性: 36.50627 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.54
• LOG S: -3.73
• 极化表面积: 42.31 Å^2
• 可自由旋转的化学键: 4