2-amino-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 123858
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NCc1ccc(cc1)OC)CN
• Canonical SMILES: NCC(=O)NCc1ccc(cc1)OC
• InChI: InChI=1S/C10H14N2O2/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: AFYZSADCHFNJCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-amino-N-[(4-methoxyphenyl)methyl]acetamide
• Synonyms: 2-amino-N-(4-methoxybenzyl)acetamide

Database IDs

• PubChem SID: 162218211
• PubChem CID: 20956089

CALCULATED PROPERTIES

• Acid pKa: 15.233874
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6567347
• LogD (pH = 7.4): -0.9735275
• Log P: -0.16394025
• Molar Refractivity: 53.7981 cm^3
• Polarizability: 21.101246 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true