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

• ChemBase ID: 308228
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N(C(=O)CCN)c1c(OC)cccc1
• Canonical SMILES: NCCC(=O)Nc1ccccc1OC
• InChI: InChI=1S/C10H14N2O2/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: JXRAGPMDMNPHMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-methoxyphenyl)propanamide
• IUPAC Traditional name: 3-amino-N-(2-methoxyphenyl)propanamide
• Synonyms: N~1~-(2-methoxyphenyl)-beta-alaninamide

Database IDs

• CAS Number: 938515-94-7
• MDL Number: MFCD09726197

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.567854
• LogD (pH = 7.4): -1.3450143
• Log P: 0.3661678
• Molar Refractivity: 55.4433 cm^3
• Polarizability: 21.094213 Å^3
• Polar Surface Area: 64.35 Å^2