N-(2-amino-4-methoxyphenyl)propanamide

• ChemBase ID: 262762
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N(c1c(cc(cc1)OC)N)C(=O)CC
• Canonical SMILES: CCC(=O)Nc1ccc(cc1N)OC
• InChI: InChI=1S/C10H14N2O2/c1-3-10(13)12-9-5-4-7(14-2)6-8(9)11/h4-6H,3,11H2,1-2H3,(H,12,13)
• InChIKey: YGJJWAQBSFELGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methoxyphenyl)propanamide
• IUPAC Traditional name: N-(2-amino-4-methoxyphenyl)propanamide
• Synonyms: N-(2-amino-4-methoxyphenyl)propanamide

Database IDs

• CAS Number: 67169-89-5
• MDL Number: MFCD09047410
• PubChem SID: 164318672
• PubChem CID: 16774992

CALCULATED PROPERTIES

• Acid pKa: 14.59232
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9237439
• LogD (pH = 7.4): 0.92488027
• Log P: 0.9248948
• Molar Refractivity: 56.7115 cm^3
• Polarizability: 20.712095 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.599

Product Information

• Purity: 95%