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

• ChemBase ID: 194549
• Molecular Formular: C29H41NO4
• Molecular Mass: 467.64014
• Monoisotopic Mass: 467.3035588
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C1(CCOC(C1)C(C)C)CCN(C(=O)C)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C29H41NO4/c1-21(2)28-19-29(16-18-33-28,26-9-7-8-10-27(26)32-6)15-17-30(23(5)31)20-24-11-13-25(14-12-24)34-22(3)4/h7-14,21-22,28H,15-20H2,1-6H3
• InChIKey: HKEUVLPVMBDBJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250459
• PubChem CID: 4616171

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.1259003
• LogD (pH = 7.4): 5.1259003
• Log P: 5.1259003
• Molar Refractivity: 136.9217 cm^3
• Polarizability: 53.754463 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds