2-amino-N-methyl-N-(oxan-4-yl)-2-phenylacetamide hydrochloride

• ChemBase ID: 242487
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: C(=O)(N(C1CCOCC1)C)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)N(C1CCOCC1)C)c1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O2.ClH/c1-16(12-7-9-18-10-8-12)14(17)13(15)11-5-3-2-4-6-11;/h2-6,12-13H,7-10,15H2,1H3;1H
• InChIKey: KBSIMKPKCGMRRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-(oxan-4-yl)-2-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-methyl-N-(oxan-4-yl)-2-phenylacetamide hydrochloride
• Synonyms: 2-amino-N-methyl-N-(oxan-4-yl)-2-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD22566056
• PubChem SID: 164298397
• PubChem CID: 71757030

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7801794
• LogD (pH = 7.4): -0.106543005
• Log P: 0.39054945
• Molar Refractivity: 70.4524 cm^3
• Polarizability: 27.75291 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.07

Product Information

• Purity: 95%