5,5-dimethyl-2-(1-phenylethyl)-1,2-oxazinane-3,4-dione

• ChemBase ID: 190717
• Molecular Formular: C14H17NO3
• Molecular Mass: 247.28968
• Monoisotopic Mass: 247.12084341
• SMILES: N1(C(=O)C(=O)C(CO1)(C)C)C(c1ccccc1)C
• Canonical SMILES: CC(N1OCC(C(=O)C1=O)(C)C)c1ccccc1
• InChI: InChI=1S/C14H17NO3/c1-10(11-7-5-4-6-8-11)15-13(17)12(16)14(2,3)9-18-15/h4-8,10H,9H2,1-3H3
• InChIKey: VWCLLYDOIREHPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-2-(1-phenylethyl)-1,2-oxazinane-3,4-dione
• IUPAC Traditional name: 5,5-dimethyl-2-(1-phenylethyl)-1,2-oxazinane-3,4-dione

Database IDs

• PubChem SID: 164246627
• PubChem CID: 3451874

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0357769
• LogD (pH = 7.4): 3.0357769
• Log P: 3.0357769
• Molar Refractivity: 67.2027 cm^3
• Polarizability: 26.30836 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds