2-[(3-methoxyphenyl)amino]-N-methylacetamide

• ChemBase ID: 264784
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(CNc1cc(OC)ccc1)NC
• Canonical SMILES: CNC(=O)CNc1cccc(c1)OC
• InChI: InChI=1S/C10H14N2O2/c1-11-10(13)7-12-8-4-3-5-9(6-8)14-2/h3-6,12H,7H2,1-2H3,(H,11,13)
• InChIKey: QKOUNQUDPRCLPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)amino]-N-methylacetamide
• IUPAC Traditional name: 2-[(3-methoxyphenyl)amino]-N-methylacetamide
• Synonyms: 2-[(3-methoxyphenyl)amino]-N-methylacetamide

Database IDs

• MDL Number: MFCD11154225
• PubChem SID: 164320694
• PubChem CID: 28585615

CALCULATED PROPERTIES

• Acid pKa: 15.634567
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18290088
• LogD (pH = 7.4): 0.1830673
• Log P: 0.18306944
• Molar Refractivity: 55.5185 cm^3
• Polarizability: 20.723862 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 0.639

Product Information

• Purity: 95%