2-amino-N-(3,5-dimethoxyphenyl)acetamide hydrochloride

• ChemBase ID: 235346
• Molecular Formular: C10H15ClN2O3
• Molecular Mass: 246.6907
• Monoisotopic Mass: 246.07712003
• SMILES: c1(NC(=O)CN)cc(cc(c1)OC)OC.Cl
• Canonical SMILES: NCC(=O)Nc1cc(OC)cc(c1)OC.Cl
• InChI: InChI=1S/C10H14N2O3.ClH/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2;/h3-5H,6,11H2,1-2H3,(H,12,13);1H
• InChIKey: CAFUJOQPIKLBSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3,5-dimethoxyphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(3,5-dimethoxyphenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(3,5-dimethoxyphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD22056405
• PubChem SID: 164291256
• PubChem CID: 71755492

CALCULATED PROPERTIES

• Acid pKa: 12.846773
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4015698
• LogD (pH = 7.4): -0.70718235
• Log P: -0.02851619
• Molar Refractivity: 57.2071 cm^3
• Polarizability: 21.787687 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 0.35

Product Information

• Purity: 95%