2-methoxy-6-(3-methoxy-6-methylpyridin-2-yl)-N,N-bis(propan-2-yl)benzamide

• ChemBase编号: 388172
• 分子式: C21H28N2O3
• 平均质量: 356.45862
• 单一同位素质量: 356.20999277
• SMILES: C(=O)(c1c(c2nc(ccc2OC)C)cccc1OC)N(C(C)C)C(C)C
• Canonical SMILES: COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1nc(C)ccc1OC
• InChI: InChI=1S/C21H28N2O3/c1-13(2)23(14(3)4)21(24)19-16(9-8-10-17(19)25-6)20-18(26-7)12-11-15(5)22-20/h8-14H,1-7H3
• InChIKey: FOMACIRURAERPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-6-(3-methoxy-6-methylpyridin-2-yl)-N,N-bis(propan-2-yl)benzamide
• IUPAC传统名: N,N-diisopropyl-2-methoxy-6-(3-methoxy-6-methylpyridin-2-yl)benzamide
• 别名: N,N-diisopropyl-2-methoxy-6-(3-methoxy-6-methylpyridin-2-yl)benzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4228404
• LogD (pH = 7.4): 3.4490898
• Log P: 3.449435
• 摩尔折射率: 103.3898 cm^3
• 极化性: 41.079304 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.99
• LOG S: -4.35
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 6