N-(2-methoxyphenyl)-2-(methylamino)acetamide

• ChemBase ID: 123995
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N(c1c(OC)cccc1)C(=O)CNC
• Canonical SMILES: CNCC(=O)Nc1ccccc1OC
• InChI: InChI=1S/C10H14N2O2/c1-11-7-10(13)12-8-5-3-4-6-9(8)14-2/h3-6,11H,7H2,1-2H3,(H,12,13)
• InChIKey: CUTKJIFVPGQEOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-2-(methylamino)acetamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-2-(methylamino)acetamide
• Synonyms: N-(2-methoxyphenyl)-2-(methylamino)acetamide

Database IDs

• PubChem SID: 162218348
• PubChem CID: 20116173

CALCULATED PROPERTIES

• Acid pKa: 12.021347
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.200894
• LogD (pH = 7.4): -0.510699
• Log P: 0.56173545
• Molar Refractivity: 55.5185 cm^3
• Polarizability: 21.094114 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true