2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]acetamide

• ChemBase ID: 183106
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: C1(CC(OCC1)C(C)C)(CC(=O)N)c1ccccc1
• Canonical SMILES: NC(=O)CC1(CCOC(C1)C(C)C)c1ccccc1
• InChI: InChI=1S/C16H23NO2/c1-12(2)14-10-16(8-9-19-14,11-15(17)18)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,18)
• InChIKey: OJPJSOVOOAYROD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]acetamide
• IUPAC Traditional name: 2-(2-isopropyl-4-phenyloxan-4-yl)acetamide

Database IDs

• PubChem SID: 164239016
• PubChem CID: 3095525

CALCULATED PROPERTIES

• Acid pKa: 16.6415
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3172395
• LogD (pH = 7.4): 2.3172402
• Log P: 2.3172402
• Molar Refractivity: 75.7762 cm^3
• Polarizability: 29.914701 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds