1-{1-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]cyclopentyl}pyrrolidine

• ChemBase ID: 424729
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: N1(C(=O)C2(N3CCCC3)CCCC2)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OC1CN(C1)C(=O)C1(CCCC1)N1CCCC1
• InChI: InChI=1S/C20H28N2O3/c1-24-16-7-6-8-17(13-16)25-18-14-21(15-18)19(23)20(9-2-3-10-20)22-11-4-5-12-22/h6-8,13,18H,2-5,9-12,14-15H2,1H3
• InChIKey: DVUANFUJMCDRHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]cyclopentyl}pyrrolidine
• IUPAC Traditional name: 1-{1-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]cyclopentyl}pyrrolidine
• Synonyms: 1-(1-{[3-(3-methoxyphenoxy)-1-azetidinyl]carbonyl}cyclopentyl)pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.50631297
• LogD (pH = 7.4): 1.1071411
• Log P: 2.6718292
• Molar Refractivity: 96.3989 cm^3
• Polarizability: 38.01181 Å^3
• Polar Surface Area: 42.01 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: 2.46
• LOG S: -3.81
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5