methyl 2-(cyclohexylamino)-2-phenylacetate

• ChemBase ID: 311834
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: C(C(=O)OC)(NC1CCCCC1)c1ccccc1
• Canonical SMILES: COC(=O)C(c1ccccc1)NC1CCCCC1
• InChI: InChI=1S/C15H21NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3
• InChIKey: GIERMKQJVHUGLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(cyclohexylamino)-2-phenylacetate
• IUPAC Traditional name: methyl 2-(cyclohexylamino)-2-phenylacetate
• Synonyms: methyl (cyclohexylamino)(phenyl)acetate

Database IDs

• CAS Number: 78907-07-0
• MDL Number: MFCD03075548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2497401
• LogD (pH = 7.4): 3.1285677
• Log P: 3.166699
• Molar Refractivity: 70.9192 cm^3
• Polarizability: 28.463522 Å^3
• Polar Surface Area: 38.33 Å^2