N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylnaphthalene-1-carboxamide

• ChemBase编号: 436217
• 分子式: C26H27NO2
• 平均质量: 385.49808
• 单一同位素质量: 385.20417911
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1c2c(ccc1)cccc2
• Canonical SMILES: O=C(c1cccc2c1cccc2)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C26H27NO2/c28-26(25-10-4-8-21-7-1-2-9-24(21)25)27(22-13-14-22)17-19-11-15-23(16-12-19)29-18-20-5-3-6-20/h1-2,4,7-12,15-16,20,22H,3,5-6,13-14,17-18H2
• InChIKey: DFMQCCNREJBADA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylnaphthalene-1-carboxamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylnaphthalene-1-carboxamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-1-naphthamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.518227
• LogD (pH = 7.4): 5.518227
• Log P: 5.518227
• 摩尔折射率: 116.21 cm^3
• 极化性: 46.117004 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: false

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 5.77
• LOG S: -5.9
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7