2-[(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide hydrochloride

• ChemBase ID: 124500
• Molecular Formular: C14H17ClN2O3
• Molecular Mass: 296.74938
• Monoisotopic Mass: 296.09277009
• SMILES: N(c1c(OC)cccc1)C(=O)CNCc1occc1.Cl
• Canonical SMILES: COc1ccccc1NC(=O)CNCc1ccco1.Cl
• InChI: InChI=1S/C14H16N2O3.ClH/c1-18-13-7-3-2-6-12(13)16-14(17)10-15-9-11-5-4-8-19-11;/h2-8,15H,9-10H2,1H3,(H,16,17);1H
• InChIKey: DZJYKVCELZBZLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-[(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide hydrochloride
• Synonyms: 2-((furan-2-ylmethyl)amino)-N-(2-methoxyphenyl)acetamide hydrochloride; 2-[(2-furylmethyl)amino]-N-(2-methoxyphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447146
• PubChem SID: 162218853
• PubChem CID: 20847946

CALCULATED PROPERTIES

• Acid pKa: 12.01931
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.11347954
• LogD (pH = 7.4): 1.2141387
• Log P: 1.3464552
• Molar Refractivity: 72.522 cm^3
• Polarizability: 27.556776 Å^3
• Polar Surface Area: 63.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.133

Product Information

• Purity: 95%
• Salt Data: HCl