2-amino-N-cyclohexyl-N-methyl-2-phenylacetamide hydrochloride

• ChemBase ID: 242644
• Molecular Formular: C15H23ClN2O
• Molecular Mass: 282.80892
• Monoisotopic Mass: 282.14989105
• SMILES: C(=O)(N(C1CCCCC1)C)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)N(C1CCCCC1)C)c1ccccc1.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c1-17(13-10-6-3-7-11-13)15(18)14(16)12-8-4-2-5-9-12;/h2,4-5,8-9,13-14H,3,6-7,10-11,16H2,1H3;1H
• InChIKey: GHHKSDZJBAQQNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N-methyl-2-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N-methyl-2-phenylacetamide hydrochloride
• Synonyms: 2-amino-N-cyclohexyl-N-methyl-2-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD22566076
• PubChem SID: 164298554
• PubChem CID: 71757058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.057904437
• LogD (pH = 7.4): 1.731541
• Log P: 2.2286339
• Molar Refractivity: 72.9911 cm^3
• Polarizability: 28.915314 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.469

Product Information

• Purity: 95%