N-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

• ChemBase ID: 185571
• Molecular Formular: C24H31NO2
• Molecular Mass: 365.50844
• Monoisotopic Mass: 365.23547924
• SMILES: C1(CC(OCC1)(C)C)(CCN(C(=O)C)Cc1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)N(Cc1ccccc1)CCC1(CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C24H31NO2/c1-20(26)25(18-21-10-6-4-7-11-21)16-14-24(22-12-8-5-9-13-22)15-17-27-23(2,3)19-24/h4-13H,14-19H2,1-3H3
• InChIKey: PBQYOPSXQSMRGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164241481
• PubChem CID: 3336705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.060941
• LogD (pH = 7.4): 4.0609417
• Log P: 4.0609417
• Molar Refractivity: 110.4705 cm^3
• Polarizability: 43.219353 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds