N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-(1-phenylethyl)acetamide

• ChemBase ID: 202477
• Molecular Formular: C27H37NO3
• Molecular Mass: 423.58758
• Monoisotopic Mass: 423.27734405
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)C)C(c1ccccc1)C
• Canonical SMILES: COc1ccccc1C1(CCOC(C1)C(C)C)CCN(C(c1ccccc1)C)C(=O)C
• InChI: InChI=1S/C27H37NO3/c1-20(2)26-19-27(16-18-31-26,24-13-9-10-14-25(24)30-5)15-17-28(22(4)29)21(3)23-11-7-6-8-12-23/h6-14,20-21,26H,15-19H2,1-5H3
• InChIKey: BLORJSGUUHAICH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-(1-phenylethyl)acetamide
• IUPAC Traditional name: N-{2-[2-isopropyl-4-(2-methoxyphenyl)oxan-4-yl]ethyl}-N-(1-phenylethyl)acetamide

Database IDs

• PubChem SID: 164258387
• PubChem CID: 4271194

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.926763
• LogD (pH = 7.4): 4.926764
• Log P: 4.926764
• Molar Refractivity: 125.7099 cm^3
• Polarizability: 49.406208 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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