1-phenyl-2-[2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione

• ChemBase ID: 500678
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: C(=O)(N1CC(OCC1)CCCc1ccccc1)C(=O)c1ccccc1
• Canonical SMILES: O=C(C(=O)N1CCOC(C1)CCCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H23NO3/c23-20(18-11-5-2-6-12-18)21(24)22-14-15-25-19(16-22)13-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19H,7,10,13-16H2
• InChIKey: BELQCPIUHXEZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-2-[2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
• IUPAC Traditional name: 1-phenyl-2-[2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
• Synonyms: 2-oxo-1-phenyl-2-[2-(3-phenylpropyl)-4-morpholinyl]ethanone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8744352
• LogD (pH = 7.4): 3.8744352
• Log P: 3.8744352
• Molar Refractivity: 97.1856 cm^3
• Polarizability: 37.639053 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.64
• LOG S: -4.02
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 6