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

• ChemBase ID: 194392
• Molecular Formular: C27H37NO3
• Molecular Mass: 423.58758
• Monoisotopic Mass: 423.27734405
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)C)CCN(C(=O)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC1(CCOC(C1)C(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C27H37NO3/c1-20(2)26-18-27(15-17-31-26,24-10-6-21(3)7-11-24)14-16-28(22(4)29)19-23-8-12-25(30-5)13-9-23/h6-13,20,26H,14-19H2,1-5H3
• InChIKey: JGXOSEIPYHFJEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250302
• PubChem CID: 4256221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0236096
• LogD (pH = 7.4): 5.02361
• Log P: 5.02361
• Molar Refractivity: 126.3323 cm^3
• Polarizability: 49.327545 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds