1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-propoxyethan-1-one

• ChemBase ID: 645419
• Molecular Formular: C20H25NO4
• Molecular Mass: 343.4168
• Monoisotopic Mass: 343.17835829
• SMILES: N1(C(=O)COCCC)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: CCCOCC(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C20H25NO4/c1-3-9-24-14-20(22)21-8-10-25-19(13-21)17-5-4-16-12-18(23-2)7-6-15(16)11-17/h4-7,11-12,19H,3,8-10,13-14H2,1-2H3
• InChIKey: JNZLWAKKTAETDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-propoxyethan-1-one
• IUPAC Traditional name: 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-propoxyethanone
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-(propoxyacetyl)morpholine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.5198178
• LogD (pH = 7.4): 2.5198178
• Log P: 2.5198178
• Molar Refractivity: 96.256 cm^3
• Polarizability: 38.778492 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 19.775087
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.78
• LOG S: -4.93
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4