N-[(4-methoxyphenyl)methyl]-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}acetamide

• ChemBase编号: 194388
• 分子式: C25H35NO3
• 平均质量: 397.5503
• 单一同位素质量: 397.26169399
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3
• InChIKey: QMBGNVYXGLACJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxyphenyl)methyl]-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}acetamide
• IUPAC传统名: N-[3-(4-isopropoxyphenyl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide

登记号

• PubChem SID: 164250298
• PubChem CID: 4256218

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.0758867
• LogD (pH = 7.4): 5.075887
• Log P: 5.075887
• 摩尔折射率: 118.6325 cm^3
• 极化性: 46.434425 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 简要说明: 2 Diastereomers
• 分类: Derivatives & analogs of Natural Compounds