N-(2-methoxyethyl)-6-(methoxymethyl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

• ChemBase编号: 715747
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: C(=O)(N(Cc1c(C)cccc1)CCOC)c1nc(COC)ccc1
• Canonical SMILES: COCCN(C(=O)c1cccc(n1)COC)Cc1ccccc1C
• InChI: InChI=1S/C19H24N2O3/c1-15-7-4-5-8-16(15)13-21(11-12-23-2)19(22)18-10-6-9-17(20-18)14-24-3/h4-10H,11-14H2,1-3H3
• InChIKey: QGDFWQLVTIREOC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-6-(methoxymethyl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-6-(methoxymethyl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
• 别名: N-(2-methoxyethyl)-6-(methoxymethyl)-N-(2-methylbenzyl)pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.587583
• LogD (pH = 7.4): 2.5875838
• Log P: 2.5875838
• 摩尔折射率: 94.1431 cm^3
• 极化性: 36.052105 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.55
• LOG S: -2.92
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 8