N-{[3-(cycloheptyloxy)-4-methoxyphenyl]methyl}-N-cyclopropylcyclobutanecarboxamide

• ChemBase编号: 337808
• 分子式: C23H33NO3
• 平均质量: 371.51302
• 单一同位素质量: 371.24604392
• SMILES: N(C(=O)C1CCC1)(C1CC1)Cc1cc(OC2CCCCCC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCCCCC1)CN(C(=O)C1CCC1)C1CC1
• InChI: InChI=1S/C23H33NO3/c1-26-21-14-11-17(15-22(21)27-20-9-4-2-3-5-10-20)16-24(19-12-13-19)23(25)18-7-6-8-18/h11,14-15,18-20H,2-10,12-13,16H2,1H3
• InChIKey: MGEVZRRSRSHXKY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[3-(cycloheptyloxy)-4-methoxyphenyl]methyl}-N-cyclopropylcyclobutanecarboxamide
• IUPAC传统名: N-{[3-(cycloheptyloxy)-4-methoxyphenyl]methyl}-N-cyclopropylcyclobutanecarboxamide
• 别名: N-[3-(cycloheptyloxy)-4-methoxybenzyl]-N-cyclopropylcyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.7599626
• LogD (pH = 7.4): 4.759963
• Log P: 4.759963
• 摩尔折射率: 106.6249 cm^3
• 极化性: 42.005646 Å^3
• 极化表面积: 38.77 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: 3
• 质子供体: 0
• Log P: 4.48
• LOG S: -5.08
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 6