1-[2-(3-phenylpropyl)morpholin-4-yl]-2-(pyridin-3-yl)ethan-1-one

• ChemBase ID: 559036
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: N1(C(=O)Cc2cnccc2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: O=C(N1CCOC(C1)CCCc1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C20H24N2O2/c23-20(14-18-9-5-11-21-15-18)22-12-13-24-19(16-22)10-4-8-17-6-2-1-3-7-17/h1-3,5-7,9,11,15,19H,4,8,10,12-14,16H2
• InChIKey: QLIBIANXLVKDEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-phenylpropyl)morpholin-4-yl]-2-(pyridin-3-yl)ethan-1-one
• IUPAC Traditional name: 1-[2-(3-phenylpropyl)morpholin-4-yl]-2-(pyridin-3-yl)ethanone
• Synonyms: 2-(3-phenylpropyl)-4-(3-pyridinylacetyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6962354
• LogD (pH = 7.4): 2.7761226
• Log P: 2.7772694
• Molar Refractivity: 94.1386 cm^3
• Polarizability: 36.693306 Å^3
• Polar Surface Area: 42.43 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: 3.77
• LOG S: -3.62
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6