N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(dimethyl-1,2-oxazol-4-yl)acetamide

• ChemBase编号: 619063
• 分子式: C22H28N2O3
• 平均质量: 368.46932
• 单一同位素质量: 368.20999277
• SMILES: c1(CC(=O)N(C2CC2)Cc2ccc(OCC3CCC3)cc2)c(onc1C)C
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)Cc1c(C)noc1C
• InChI: InChI=1S/C22H28N2O3/c1-15-21(16(2)27-23-15)12-22(25)24(19-8-9-19)13-17-6-10-20(11-7-17)26-14-18-4-3-5-18/h6-7,10-11,18-19H,3-5,8-9,12-14H2,1-2H3
• InChIKey: QSMLDPVXSQJOLH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(dimethyl-1,2-oxazol-4-yl)acetamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(dimethyl-1,2-oxazol-4-yl)acetamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-(3,5-dimethyl-4-isoxazolyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.2043455
• LogD (pH = 7.4): 3.2043922
• Log P: 3.204393
• 摩尔折射率: 104.9944 cm^3
• 极化性: 40.110836 Å^3
• 极化表面积: 55.57 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: 4
• 质子供体: 0
• Log P: 2.75
• LOG S: -4.76
• 极化表面积: 55.57 Å^2
• 可自由旋转的化学键: 8