N-[(4-methyloxan-4-yl)methyl]-2-oxo-2-phenylacetamide

• ChemBase ID: 750543
• Molecular Formular: C15H19NO3
• Molecular Mass: 261.31626
• Monoisotopic Mass: 261.13649347
• SMILES: C(=O)(C(=O)c1ccccc1)NCC1(CCOCC1)C
• Canonical SMILES: O=C(C(=O)c1ccccc1)NCC1(C)CCOCC1
• InChI: InChI=1S/C15H19NO3/c1-15(7-9-19-10-8-15)11-16-14(18)13(17)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,18)
• InChIKey: CTNHUMFWXKBOHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methyloxan-4-yl)methyl]-2-oxo-2-phenylacetamide
• IUPAC Traditional name: N-[(4-methyloxan-4-yl)methyl]-2-oxo-2-phenylacetamide
• Synonyms: N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]-2-oxo-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.121127
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7070086
• LogD (pH = 7.4): 1.7070079
• Log P: 1.7070086
• Molar Refractivity: 72.6662 cm^3
• Polarizability: 28.124472 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.61
• LOG S: -2.48
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4