ethyl 4-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butanoate

• ChemBase ID: 315363
• Molecular Formular: C21H27NO4
• Molecular Mass: 357.44338
• Monoisotopic Mass: 357.19400835
• SMILES: c1(C2CN(CCCC(=O)OCC)CCO2)cc2c(cc(cc2)OC)cc1
• Canonical SMILES: CCOC(=O)CCCN1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C21H27NO4/c1-3-25-21(23)5-4-10-22-11-12-26-20(15-22)18-7-6-17-14-19(24-2)9-8-16(17)13-18/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3
• InChIKey: NWGPDMQSZLIMMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butanoate
• IUPAC Traditional name: ethyl 4-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butanoate
• Synonyms: ethyl 4-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]butanoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.845823
• LogD (pH = 7.4): 3.0107565
• Log P: 3.094074
• Molar Refractivity: 101.3155 cm^3
• Polarizability: 41.01856 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.81
• LOG S: -4.05
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8