N-(2,2-dimethyloxan-4-yl)-4-methyl-3-phenylpentanamide

• ChemBase ID: 221042
• Molecular Formular: C19H29NO2
• Molecular Mass: 303.43906
• Monoisotopic Mass: 303.21982917
• SMILES: C(=O)(NC1CC(OCC1)(C)C)CC(c1ccccc1)C(C)C
• Canonical SMILES: O=C(CC(c1ccccc1)C(C)C)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C19H29NO2/c1-14(2)17(15-8-6-5-7-9-15)12-18(21)20-16-10-11-22-19(3,4)13-16/h5-9,14,16-17H,10-13H2,1-4H3,(H,20,21)
• InChIKey: JBSNRAYWNCVKRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-4-methyl-3-phenylpentanamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-4-methyl-3-phenylpentanamide

Database IDs

• PubChem SID: 164276952
• PubChem CID: 42648721

CALCULATED PROPERTIES

• Acid pKa: 16.056904
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1492338
• LogD (pH = 7.4): 3.1492407
• Log P: 3.149241
• Molar Refractivity: 89.9162 cm^3
• Polarizability: 35.446796 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds