1-(2-benzylmorpholin-4-yl)-2-(diethylamino)ethan-1-one

• ChemBase ID: 594633
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: N1(C(=O)CN(CC)CC)CC(OCC1)Cc1ccccc1
• Canonical SMILES: CCN(CC(=O)N1CCOC(C1)Cc1ccccc1)CC
• InChI: InChI=1S/C17H26N2O2/c1-3-18(4-2)14-17(20)19-10-11-21-16(13-19)12-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3
• InChIKey: RSSWVYDTQXTSML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-benzylmorpholin-4-yl)-2-(diethylamino)ethan-1-one
• IUPAC Traditional name: 1-(2-benzylmorpholin-4-yl)-2-(diethylamino)ethanone
• Synonyms: 2-(2-benzyl-4-morpholinyl)-N,N-diethyl-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.63450044
• LogD (pH = 7.4): 1.1340748
• Log P: 1.8765792
• Molar Refractivity: 85.2978 cm^3
• Polarizability: 33.28445 Å^3
• Polar Surface Area: 32.78 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: 3.04
• LOG S: -1.29
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3