N-[(3R)-oxan-3-yl]benzamide

• ChemBase ID: 799209
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: c1(ccccc1)C(=O)N[C@H]1COCCC1
• Canonical SMILES: O=C(c1ccccc1)N[C@@H]1CCCOC1
• InChI: InChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)13-11-7-4-8-15-9-11/h1-3,5-6,11H,4,7-9H2,(H,13,14)/t11-/m1/s1
• InChIKey: KSTOAACFCMVXAY-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R)-oxan-3-yl]benzamide
• IUPAC Traditional name: N-[(3R)-oxan-3-yl]benzamide
• Synonyms: (R)-N-(tetrahydro-2H-pyran-3-yl)benzamide

Database IDs

• CAS Number: 1347675-92-6

CALCULATED PROPERTIES

• Acid pKa: 15.066326
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.466151
• LogD (pH = 7.4): 1.4661512
• Log P: 1.4661512
• Molar Refractivity: 58.2878 cm^3
• Polarizability: 22.330263 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%