N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylcyclopropanecarboxamide

• ChemBase编号: 415151
• 分子式: C19H25NO2
• 平均质量: 299.4073
• 单一同位素质量: 299.18852905
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)C1CC1
• InChI: InChI=1S/C19H25NO2/c21-19(16-6-7-16)20(17-8-9-17)12-14-4-10-18(11-5-14)22-13-15-2-1-3-15/h4-5,10-11,15-17H,1-3,6-9,12-13H2
• InChIKey: JESUIKGFQNOEAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylcyclopropanecarboxamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylcyclopropanecarboxamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropylcyclopropanecarboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.4543722
• LogD (pH = 7.4): 3.4543724
• Log P: 3.4543724
• 摩尔折射率: 86.4885 cm^3
• 极化性: 33.963043 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.12
• LOG S: -3.68
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7