2-(5-amino-2-methoxyphenoxy)acetamide

• ChemBase ID: 258725
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: c1(cc(N)ccc1OC)OCC(=O)N
• Canonical SMILES: COc1ccc(cc1OCC(=O)N)N
• InChI: InChI=1S/C9H12N2O3/c1-13-7-3-2-6(10)4-8(7)14-5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12)
• InChIKey: VPBYIBMEYLPRJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: 2-(5-amino-2-methoxyphenoxy)acetamide
• Synonyms: 2-(5-amino-2-methoxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD09741067
• PubChem SID: 164314635
• PubChem CID: 16794237

CALCULATED PROPERTIES

• Acid pKa: 15.382921
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.54900885
• LogD (pH = 7.4): -0.5006353
• Log P: -0.49998197
• Molar Refractivity: 51.5916 cm^3
• Polarizability: 19.596111 Å^3
• Polar Surface Area: 87.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): -0.914

Product Information

• Purity: 95%