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

• ChemBase ID: 194578
• Molecular Formular: C28H39NO4
• Molecular Mass: 453.61356
• Monoisotopic Mass: 453.28790873
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)CC)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC1(CCOC(C1)C(C)C)c1ccccc1OC
• InChI: InChI=1S/C28H39NO4/c1-6-27(30)29(20-22-11-13-23(31-4)14-12-22)17-15-28(16-18-33-26(19-28)21(2)3)24-9-7-8-10-25(24)32-5/h7-14,21,26H,6,15-20H2,1-5H3
• InChIKey: LGWPJNZZBJLUFL-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]propanamide
• IUPAC Traditional name: N-{2-[2-isopropyl-4-(2-methoxyphenyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164250488
• PubChem CID: 4437184

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.053053
• LogD (pH = 7.4): 5.0530534
• Log P: 5.0530534
• Molar Refractivity: 132.3812 cm^3
• Polarizability: 51.911205 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