N-(2-methoxyethyl)-1-(methoxymethyl)-N-(naphthalen-1-ylmethyl)cyclopropane-1-carboxamide

• ChemBase编号: 654255
• 分子式: C20H25NO3
• 平均质量: 327.4174
• 单一同位素质量: 327.18344367
• SMILES: C1(C(=O)N(Cc2c3c(ccc2)cccc3)CCOC)(CC1)COC
• Canonical SMILES: COCCN(C(=O)C1(COC)CC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C20H25NO3/c1-23-13-12-21(19(22)20(10-11-20)15-24-2)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9H,10-15H2,1-2H3
• InChIKey: BPYKUNYSFMKSGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-1-(methoxymethyl)-N-(naphthalen-1-ylmethyl)cyclopropane-1-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-1-(methoxymethyl)-N-(naphthalen-1-ylmethyl)cyclopropane-1-carboxamide
• 别名: N-(2-methoxyethyl)-1-(methoxymethyl)-N-(1-naphthylmethyl)cyclopropanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.782204
• LogD (pH = 7.4): 2.7822042
• Log P: 2.7822042
• 摩尔折射率: 94.7917 cm^3
• 极化性: 38.123047 Å^3
• 极化表面积: 38.77 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: 3
• 质子供体: 0
• Log P: 2.59
• LOG S: -3.8
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8