N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

• ChemBase编号: 194590
• 分子式: C30H43NO4
• 平均质量: 481.66672
• 单一同位素质量: 481.31920886
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)CC)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC1(CCOC(C1)C(C)C)c1ccccc1OC
• InChI: InChI=1S/C30H43NO4/c1-7-29(32)31(21-24-12-14-25(15-13-24)35-23(4)5)18-16-30(17-19-34-28(20-30)22(2)3)26-10-8-9-11-27(26)33-6/h8-15,22-23,28H,7,16-21H2,1-6H3
• InChIKey: YXXOGRSJPNKHOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
• IUPAC传统名: N-[(4-isopropoxyphenyl)methyl]-N-{2-[2-isopropyl-4-(2-methoxyphenyl)oxan-4-yl]ethyl}propanamide

登记号

• PubChem SID: 164250500
• PubChem CID: 3822311

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.8264356
• LogD (pH = 7.4): 5.8264365
• Log P: 5.8264365
• 摩尔折射率: 141.5486 cm^3
• 极化性: 55.59826 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds