1-(methoxymethyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-N-methylcyclobutane-1-carboxamide

• ChemBase编号: 415805
• 分子式: C20H25NO3
• 平均质量: 327.4174
• 单一同位素质量: 327.18344367
• SMILES: C(=O)(C1(COC)CCC1)N(Cc1c2c(c(cc1)OC)cccc2)C
• Canonical SMILES: COCC1(CCC1)C(=O)N(Cc1ccc(c2c1cccc2)OC)C
• InChI: InChI=1S/C20H25NO3/c1-21(19(22)20(14-23-2)11-6-12-20)13-15-9-10-18(24-3)17-8-5-4-7-16(15)17/h4-5,7-10H,6,11-14H2,1-3H3
• InChIKey: SYJUODNUHYCZAJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(methoxymethyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-N-methylcyclobutane-1-carboxamide
• IUPAC传统名: 1-(methoxymethyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-N-methylcyclobutane-1-carboxamide
• 别名: 1-(methoxymethyl)-N-[(4-methoxy-1-naphthyl)methyl]-N-methylcyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.116077
• LogD (pH = 7.4): 3.116077
• Log P: 3.116077
• 摩尔折射率: 94.8124 cm^3
• 极化性: 38.109314 Å^3
• 极化表面积: 38.77 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: 3
• 质子供体: 0
• Log P: 2.75
• LOG S: -3.94
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 6