2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride

• ChemBase ID: 243635
• Molecular Formular: C14H17ClN2O2
• Molecular Mass: 280.74998
• Monoisotopic Mass: 280.09785547
• SMILES: C(=O)(N(Cc1occc1)C)C(c1ccccc1)N.Cl
• Canonical SMILES: O=C(C(c1ccccc1)N)N(Cc1ccco1)C.Cl
• InChI: InChI=1S/C14H16N2O2.ClH/c1-16(10-12-8-5-9-18-12)14(17)13(15)11-6-3-2-4-7-11;/h2-9,13H,10,15H2,1H3;1H
• InChIKey: HOUANWJKGHJORH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride
• Synonyms: 2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD22578722
• PubChem SID: 164299545
• PubChem CID: 71757304

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9565813
• LogD (pH = 7.4): 0.71704185
• Log P: 1.2140831
• Molar Refractivity: 68.9804 cm^3
• Polarizability: 26.87856 Å^3
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.263

Product Information

• Purity: 95%