4-cyclobutanecarbonyl-2-[(3-methoxyphenyl)methyl]morpholine

• ChemBase ID: 513978
• Molecular Formular: C17H23NO3
• Molecular Mass: 289.36942
• Monoisotopic Mass: 289.1677936
• SMILES: N1(C(=O)C2CCC2)CC(OCC1)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)C(=O)C1CCC1
• InChI: InChI=1S/C17H23NO3/c1-20-15-7-2-4-13(10-15)11-16-12-18(8-9-21-16)17(19)14-5-3-6-14/h2,4,7,10,14,16H,3,5-6,8-9,11-12H2,1H3
• InChIKey: BURDBVPUCKGXDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutanecarbonyl-2-[(3-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-cyclobutanecarbonyl-2-[(3-methoxyphenyl)methyl]morpholine
• Synonyms: 4-(cyclobutylcarbonyl)-2-(3-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.338158
• LogD (pH = 7.4): 2.3381584
• Log P: 2.3381584
• Molar Refractivity: 80.835 cm^3
• Polarizability: 31.703371 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -2.41
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3