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

• ChemBase编号: 194310
• 分子式: C30H43NO3
• 平均质量: 465.66732
• 单一同位素质量: 465.32429424
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)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)c1ccc(cc1)C
• InChI: InChI=1S/C30H43NO3/c1-7-29(32)31(21-25-10-14-27(15-11-25)34-23(4)5)18-16-30(26-12-8-24(6)9-13-26)17-19-33-28(20-30)22(2)3/h8-15,22-23,28H,7,16-21H2,1-6H3
• InChIKey: GABQDTCSORNSIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[4-(4-methylphenyl)-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-(4-methylphenyl)oxan-4-yl]ethyl}propanamide

登记号

• PubChem SID: 164250220
• PubChem CID: 3509464

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.4975286
• LogD (pH = 7.4): 6.497529
• Log P: 6.497529
• 摩尔折射率: 140.1266 cm^3
• 极化性: 54.86177 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