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

• ChemBase ID: 194162
• Molecular Formular: C27H37NO4
• Molecular Mass: 439.58698
• Monoisotopic Mass: 439.27225867
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC1(CCOC(C1)C(C)C)c1ccccc1OC
• InChI: InChI=1S/C27H37NO4/c1-20(2)26-18-27(15-17-32-26,24-8-6-7-9-25(24)31-5)14-16-28(21(3)29)19-22-10-12-23(30-4)13-11-22/h6-13,20,26H,14-19H2,1-5H3
• InChIKey: WWCBCYJNXBONTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-{2-[2-isopropyl-4-(2-methoxyphenyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164250072
• PubChem CID: 4263979

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.352517
• LogD (pH = 7.4): 4.3525176
• Log P: 4.3525176
• Molar Refractivity: 127.7543 cm^3
• Polarizability: 50.067856 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds