N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

• ChemBase编号: 713428
• 分子式: C19H23NO3
• 平均质量: 313.39082
• 单一同位素质量: 313.1677936
• SMILES: c1(C(=O)N(CC2OCCC2)CC2CCC2)oc2c(c1)cccc2
• Canonical SMILES: O=C(c1cc2c(o1)cccc2)N(CC1CCCO1)CC1CCC1
• InChI: InChI=1S/C19H23NO3/c21-19(18-11-15-7-1-2-9-17(15)23-18)20(12-14-5-3-6-14)13-16-8-4-10-22-16/h1-2,7,9,11,14,16H,3-6,8,10,12-13H2
• InChIKey: ZHWRTRUBKKGOBB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
• IUPAC传统名: N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
• 别名: N-(cyclobutylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-1-benzofuran-2-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.9940977
• LogD (pH = 7.4): 2.9940977
• Log P: 2.9940977
• 摩尔折射率: 88.4461 cm^3
• 极化性: 35.196064 Å^3
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.99
• LOG S: -3.19
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 5