N-methoxy-N-methyloxane-4-carboxamide

• ChemBase ID: 799353
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: O1CCC(CC1)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)C1CCOCC1)C
• InChI: InChI=1S/C8H15NO3/c1-9(11-2)8(10)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3
• InChIKey: QURBKRFUFINPQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyloxane-4-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyloxane-4-carboxamide
• Synonyms: N-methoxy-N-methyl-tetrahydro-2H-pyran-4-carboxamide; N-METHOXY-N-METHYLTETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE

Database IDs

• CAS Number: 156353-01-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.010827472
• LogD (pH = 7.4): -0.010827472
• Log P: -0.010827472
• Molar Refractivity: 44.3602 cm^3
• Polarizability: 17.38404 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%; 98%