N-cyclopropyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide

• ChemBase编号: 324628
• 分子式: C19H21NO2
• 平均质量: 295.37554
• 单一同位素质量: 295.15722892
• SMILES: N(C(=O)C1COCC1)(Cc1c2c(ccc1)cccc2)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc2c1cccc2)C1COCC1
• InChI: InChI=1S/C19H21NO2/c21-19(16-10-11-22-13-16)20(17-8-9-17)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,16-17H,8-13H2
• InChIKey: SCQZVYGQBAOCKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
• IUPAC传统名: N-cyclopropyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
• 别名: N-cyclopropyl-N-(1-naphthylmethyl)tetrahydrofuran-3-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.7289228
• LogD (pH = 7.4): 2.7289228
• Log P: 2.7289228
• 摩尔折射率: 86.529 cm^3
• 极化性: 34.876343 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.4
• LOG S: -3.4
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4