3-(3-methoxyphenoxy)-1-(4-propylbenzoyl)azetidine

• ChemBase ID: 652601
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: N1(C(=O)c2ccc(cc2)CCC)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: CCCc1ccc(cc1)C(=O)N1CC(C1)Oc1cccc(c1)OC
• InChI: InChI=1S/C20H23NO3/c1-3-5-15-8-10-16(11-9-15)20(22)21-13-19(14-21)24-18-7-4-6-17(12-18)23-2/h4,6-12,19H,3,5,13-14H2,1-2H3
• InChIKey: XBELIXPTFUJCHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenoxy)-1-(4-propylbenzoyl)azetidine
• IUPAC Traditional name: 3-(3-methoxyphenoxy)-1-(4-propylbenzoyl)azetidine
• Synonyms: 3-(3-methoxyphenoxy)-1-(4-propylbenzoyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0484176
• LogD (pH = 7.4): 4.0484176
• Log P: 4.0484176
• Molar Refractivity: 93.8896 cm^3
• Polarizability: 36.189503 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.04
• LOG S: -4.17
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6