N-(3-aminophenyl)-2-methoxypropanamide

• ChemBase ID: 264320
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(Nc1cc(N)ccc1)C(OC)C
• Canonical SMILES: COC(C(=O)Nc1cccc(c1)N)C
• InChI: InChI=1S/C10H14N2O2/c1-7(14-2)10(13)12-9-5-3-4-8(11)6-9/h3-7H,11H2,1-2H3,(H,12,13)
• InChIKey: OTLYPNREDIHLLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-methoxypropanamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-methoxypropanamide
• Synonyms: N-(3-aminophenyl)-2-methoxypropanamide

Database IDs

• MDL Number: MFCD09742832
• PubChem SID: 164320230
• PubChem CID: 16796012

CALCULATED PROPERTIES

• Acid pKa: 12.83379
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7642181
• LogD (pH = 7.4): 0.7765123
• Log P: 0.7766729
• Molar Refractivity: 56.5687 cm^3
• Polarizability: 20.728031 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.038

Product Information

• Purity: 95%