4-(benzyloxy)-N-methoxy-N-methylbenzamide

• ChemBase ID: 117868
• Molecular Formular: C16H17NO3
• Molecular Mass: 271.31108
• Monoisotopic Mass: 271.12084341
• SMILES: C(=O)(N(OC)C)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: CON(C(=O)c1ccc(cc1)OCc1ccccc1)C
• InChI: InChI=1S/C16H17NO3/c1-17(19-2)16(18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
• InChIKey: MYSYRZXOLSGCFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 4-(benzyloxy)-N-methoxy-N-methylbenzamide
• Synonyms: 4-(benzyloxy)-N-methoxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD12406929
• PubChem SID: 162089647
• PubChem CID: 11311777

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9891431
• LogD (pH = 7.4): 2.9891431
• Log P: 2.9891431
• Molar Refractivity: 77.3558 cm^3
• Polarizability: 29.6372 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.288

Product Information

• Purity: 95+%