N-(3,3-dimethyl-4-phenylbutyl)-N-(2,2-dimethyloxan-4-yl)acetamide

• ChemBase ID: 222351
• Molecular Formular: C21H33NO2
• Molecular Mass: 331.49222
• Monoisotopic Mass: 331.2511293
• SMILES: N(C1CC(OCC1)(C)C)(C(=O)C)CCC(Cc1ccccc1)(C)C
• Canonical SMILES: CC(=O)N(C1CCOC(C1)(C)C)CCC(Cc1ccccc1)(C)C
• InChI: InChI=1S/C21H33NO2/c1-17(23)22(19-11-14-24-21(4,5)16-19)13-12-20(2,3)15-18-9-7-6-8-10-18/h6-10,19H,11-16H2,1-5H3
• InChIKey: WLCTXZBTLSUXCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-dimethyl-4-phenylbutyl)-N-(2,2-dimethyloxan-4-yl)acetamide
• IUPAC Traditional name: N-(3,3-dimethyl-4-phenylbutyl)-N-(2,2-dimethyloxan-4-yl)acetamide

Database IDs

• PubChem SID: 164278261
• PubChem CID: 42648999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5647352
• LogD (pH = 7.4): 3.5647395
• Log P: 3.5647395
• Molar Refractivity: 99.3851 cm^3
• Polarizability: 39.059006 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