N-{4-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-oxobutyl}acetamide

• ChemBase ID: 616266
• Molecular Formular: C16H22N2O4
• Molecular Mass: 306.35688
• Monoisotopic Mass: 306.15795719
• SMILES: N1(C(=O)CCCNC(=O)C)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)CCCNC(=O)C
• InChI: InChI=1S/C16H22N2O4/c1-12(19)17-9-5-8-16(20)18-10-13(11-18)22-15-7-4-3-6-14(15)21-2/h3-4,6-7,13H,5,8-11H2,1-2H3,(H,17,19)
• InChIKey: FYYMHOGYZNQSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-oxobutyl}acetamide
• IUPAC Traditional name: N-{4-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-oxobutyl}acetamide
• Synonyms: N-{4-[3-(2-methoxyphenoxy)-1-azetidinyl]-4-oxobutyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.323905
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21207488
• LogD (pH = 7.4): 0.21207497
• Log P: 0.21207498
• Molar Refractivity: 81.2338 cm^3
• Polarizability: 31.817436 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.09
• LOG S: -2.82
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7