N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide

• ChemBase编号: 570355
• 分子式: C17H26N2O3
• 平均质量: 306.39994
• 单一同位素质量: 306.1943427
• SMILES: C(=O)(C1(COC)CCC1)N(Cc1c(c(c(cn1)C)OC)C)C
• Canonical SMILES: COCC1(CCC1)C(=O)N(Cc1ncc(c(c1C)OC)C)C
• InChI: InChI=1S/C17H26N2O3/c1-12-9-18-14(13(2)15(12)22-5)10-19(3)16(20)17(11-21-4)7-6-8-17/h9H,6-8,10-11H2,1-5H3
• InChIKey: KZYYCJPMEGGZJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide
• IUPAC传统名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide
• 别名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0664772
• LogD (pH = 7.4): 1.9603286
• Log P: 2.0172424
• 摩尔折射率: 85.7655 cm^3
• 极化性: 33.226994 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: 2.11
• LOG S: -3.24
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 6