N-{3-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl}acetamide

• ChemBase ID: 523193
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: N1(C(=O)c2cc(NC(=O)C)ccc2)CC(OCC1)CCc1ccccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)C(=O)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C21H24N2O3/c1-16(24)22-19-9-5-8-18(14-19)21(25)23-12-13-26-20(15-23)11-10-17-6-3-2-4-7-17/h2-9,14,20H,10-13,15H2,1H3,(H,22,24)
• InChIKey: SLHRNQQZFOGYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl}acetamide
• IUPAC Traditional name: N-{3-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl}acetamide
• Synonyms: N-(3-{[2-(2-phenylethyl)-4-morpholinyl]carbonyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.987988
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.807918
• LogD (pH = 7.4): 2.807918
• Log P: 2.8079183
• Molar Refractivity: 102.5061 cm^3
• Polarizability: 38.568512 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.73
• LOG S: -4.96
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5