N-(2-aminophenyl)-2-(dimethylamino)acetamide

• ChemBase ID: 123520
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(Nc1c(N)cccc1)CN(C)C
• Canonical SMILES: CN(CC(=O)Nc1ccccc1N)C
• InChI: InChI=1S/C10H15N3O/c1-13(2)7-10(14)12-9-6-4-3-5-8(9)11/h3-6H,7,11H2,1-2H3,(H,12,14)
• InChIKey: UPOPLDABWIZNDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-2-(dimethylamino)acetamide
• IUPAC Traditional name: N-(2-aminophenyl)-2-(dimethylamino)acetamide
• Synonyms: N-(2-aminophenyl)-2-(dimethylamino)acetamide; N~1~-(2-aminophenyl)-N~2~,N~2~-dimethylglycinamide

Database IDs

• CAS Number: 35266-48-9
• MDL Number: MFCD09731069
• PubChem SID: 162217873
• PubChem CID: 16784338

CALCULATED PROPERTIES

• Acid pKa: 13.338462
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4303199
• LogD (pH = 7.4): 0.061376054
• Log P: 0.27352872
• Molar Refractivity: 59.0504 cm^3
• Polarizability: 21.556541 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true