4-[1-(methoxymethyl)cyclobutanecarbonyl]-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 500821
• Molecular Formular: C22H27NO4
• Molecular Mass: 369.45408
• Monoisotopic Mass: 369.19400835
• SMILES: N1(C(=O)C2(COC)CCC2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C22H27NO4/c1-25-15-22(8-3-9-22)21(24)23-10-11-27-20(14-23)18-5-4-17-13-19(26-2)7-6-16(17)12-18/h4-7,12-13,20H,3,8-11,14-15H2,1-2H3
• InChIKey: KBBIHVQIZZJSSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(methoxymethyl)cyclobutanecarbonyl]-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-[1-(methoxymethyl)cyclobutanecarbonyl]-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-{[1-(methoxymethyl)cyclobutyl]carbonyl}-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9573433
• LogD (pH = 7.4): 2.9573436
• Log P: 2.9573436
• Molar Refractivity: 103.5571 cm^3
• Polarizability: 41.733536 Å^3
• Polar Surface Area: 48.0 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: 3.46
• LOG S: -4.85
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5