(3S)-3-ethyl-N-(2-phenylphenyl)morpholine-4-carboxamide

• ChemBase ID: 477460
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: C(=O)(N1[C@H](COCC1)CC)Nc1c(c2ccccc2)cccc1
• Canonical SMILES: CC[C@H]1COCCN1C(=O)Nc1ccccc1c1ccccc1
• InChI: InChI=1S/C19H22N2O2/c1-2-16-14-23-13-12-21(16)19(22)20-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3,(H,20,22)/t16-/m0/s1
• InChIKey: XWXQIJXISALCRU-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-ethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
• IUPAC Traditional name: (3S)-3-ethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
• Synonyms: (3S)-N-biphenyl-2-yl-3-ethylmorpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.739119
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.692585
• LogD (pH = 7.4): 3.6925833
• Log P: 3.6925852
• Molar Refractivity: 92.5446 cm^3
• Polarizability: 36.489758 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.15
• LOG S: -4.15
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3