N-(2,2-dimethyloxan-4-yl)-3-(furan-2-yl)-3-phenylpropanamide

• ChemBase ID: 191683
• Molecular Formular: C20H25NO3
• Molecular Mass: 327.4174
• Monoisotopic Mass: 327.18344367
• SMILES: c1(C(CC(=O)NC2CC(OCC2)(C)C)c2ccccc2)occc1
• Canonical SMILES: O=C(CC(c1ccco1)c1ccccc1)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C20H25NO3/c1-20(2)14-16(10-12-24-20)21-19(22)13-17(18-9-6-11-23-18)15-7-4-3-5-8-15/h3-9,11,16-17H,10,12-14H2,1-2H3,(H,21,22)
• InChIKey: OQSFMHADRPWONI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-3-(furan-2-yl)-3-phenylpropanamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-3-(furan-2-yl)-3-phenylpropanamide

Database IDs

• PubChem SID: 164247593
• PubChem CID: 3737365

CALCULATED PROPERTIES

• Acid pKa: 15.389776
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5337493
• LogD (pH = 7.4): 2.53375
• Log P: 2.53375
• Molar Refractivity: 93.3295 cm^3
• Polarizability: 36.368515 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds