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

• ChemBase ID: 45406
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: N(c1c(cc(N)cc1)OC)C(=O)COC
• Canonical SMILES: COCC(=O)Nc1ccc(cc1OC)N
• InChI: InChI=1S/C10H14N2O3/c1-14-6-10(13)12-8-4-3-7(11)5-9(8)15-2/h3-5H,6,11H2,1-2H3,(H,12,13)
• InChIKey: DORGJEXJFJCARM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 110506-34-8
• MDL Number: MFCD09044538
• PubChem SID: 162050169
• PubChem CID: 13839871

CALCULATED PROPERTIES

• Acid pKa: 12.392604
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.044606812
• LogD (pH = 7.4): 0.050161876
• Log P: 0.05023742
• Molar Refractivity: 58.538 cm^3
• Polarizability: 21.430552 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false