N-ethyl-3-hydroxy-N-methylbenzamide

• ChemBase ID: 274739
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(c1cc(O)ccc1)N(CC)C
• Canonical SMILES: CCN(C(=O)c1cccc(c1)O)C
• InChI: InChI=1S/C10H13NO2/c1-3-11(2)10(13)8-5-4-6-9(12)7-8/h4-7,12H,3H2,1-2H3
• InChIKey: INBLQYLHYIEKCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-hydroxy-N-methylbenzamide
• IUPAC Traditional name: N-ethyl-3-hydroxy-N-methylbenzamide
• Synonyms: N-ethyl-3-hydroxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD11623177
• PubChem SID: 164330649
• PubChem CID: 43263645

CALCULATED PROPERTIES

• Acid pKa: 8.819332
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3242738
• LogD (pH = 7.4): 1.3083582
• Log P: 1.3244809
• Molar Refractivity: 51.6593 cm^3
• Polarizability: 19.289064 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.01

Product Information

• Purity: 95%