N,2-dicyclopentyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)acetamide

• ChemBase编号: 547752
• 分子式: C24H35NO3
• 平均质量: 385.5396
• 单一同位素质量: 385.26169399
• SMILES: C(=O)(N(Cc1cc(OCC2(COC2)C)ccc1)C1CCCC1)CC1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OCC1(C)COC1)CC1CCCC1
• InChI: InChI=1S/C24H35NO3/c1-24(16-27-17-24)18-28-22-12-6-9-20(13-22)15-25(21-10-4-5-11-21)23(26)14-19-7-2-3-8-19/h6,9,12-13,19,21H,2-5,7-8,10-11,14-18H2,1H3
• InChIKey: LJCSCEIVGVAOBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dicyclopentyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)acetamide
• IUPAC传统名: N,2-dicyclopentyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)acetamide
• 别名: N,2-dicyclopentyl-N-{3-[(3-methyl-3-oxetanyl)methoxy]benzyl}acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.418566
• LogD (pH = 7.4): 4.4185677
• Log P: 4.4185677
• 摩尔折射率: 111.1062 cm^3
• 极化性: 43.86338 Å^3
• 极化表面积: 38.77 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: 3
• 质子供体: 0
• Log P: 4.8
• LOG S: -5.33
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8