(2R)-2-amino-N-methyl-N-(2-phenoxyethyl)-2-phenylacetamide

• ChemBase ID: 512685
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: C(=O)([C@@H](c1ccccc1)N)N(CCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)[C@@H](c1ccccc1)N)CCOc1ccccc1
• InChI: InChI=1S/C17H20N2O2/c1-19(12-13-21-15-10-6-3-7-11-15)17(20)16(18)14-8-4-2-5-9-14/h2-11,16H,12-13,18H2,1H3/t16-/m1/s1
• InChIKey: GODSPUWBSZLACM-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-methyl-N-(2-phenoxyethyl)-2-phenylacetamide
• IUPAC Traditional name: (2R)-2-amino-N-methyl-N-(2-phenoxyethyl)-2-phenylacetamide
• Synonyms: (2R)-2-amino-N-methyl-N-(2-phenoxyethyl)-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.097556256
• LogD (pH = 7.4): 1.5761299
• Log P: 2.073413
• Molar Refractivity: 82.5291 cm^3
• Polarizability: 32.546787 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.32
• LOG S: -3.25
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 6