1-ethyl-4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

• ChemBase ID: 547534
• Molecular Formular: C17H22N2O4
• Molecular Mass: 318.36758
• Monoisotopic Mass: 318.15795719
• SMILES: N1(C(=O)C2CN(C(=O)C2)CC)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: CCN1CC(CC1=O)C(=O)N1CC(C1)Oc1ccccc1OC
• InChI: InChI=1S/C17H22N2O4/c1-3-18-9-12(8-16(18)20)17(21)19-10-13(11-19)23-15-7-5-4-6-14(15)22-2/h4-7,12-13H,3,8-11H2,1-2H3
• InChIKey: BVLQTHKMVZNAME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-ethyl-4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
• Synonyms: 1-ethyl-4-{[3-(2-methoxyphenoxy)-1-azetidinyl]carbonyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3945566
• LogD (pH = 7.4): 0.39455667
• Log P: 0.39455667
• Molar Refractivity: 84.3213 cm^3
• Polarizability: 32.933247 Å^3
• Polar Surface Area: 59.08 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: 0.59
• LOG S: -2.03
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5