2-[ethyl(methyl)amino]-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethan-1-one

• ChemBase ID: 553223
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: N1(C(=O)CN(CC)C)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: CCN(CC(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC)C
• InChI: InChI=1S/C20H26N2O3/c1-4-21(2)14-20(23)22-9-10-25-19(13-22)17-6-5-16-12-18(24-3)8-7-15(16)11-17/h5-8,11-12,19H,4,9-10,13-14H2,1-3H3
• InChIKey: NKFRYUPBSRYGKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(methyl)amino]-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethan-1-one
• IUPAC Traditional name: 2-[ethyl(methyl)amino]-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
• Synonyms: N-ethyl-2-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]-N-methyl-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.19210134
• LogD (pH = 7.4): 1.5333593
• Log P: 2.0629156
• Molar Refractivity: 98.7076 cm^3
• Polarizability: 39.625942 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.4
• LOG S: -4.6
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5