8-(2H-1,3-benzodioxole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 363239
• Molecular Formular: C20H26N2O5
• Molecular Mass: 374.43084
• Monoisotopic Mass: 374.18417194
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)c1cc3c(OCO3)cc1)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C20H26N2O5/c1-25-10-2-7-22-13-20(12-18(22)23)5-8-21(9-6-20)19(24)15-3-4-16-17(11-15)27-14-26-16/h3-4,11H,2,5-10,12-14H2,1H3
• InChIKey: LZDNXDYUURECTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2H-1,3-benzodioxole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2H-1,3-benzodioxole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(1,3-benzodioxol-5-ylcarbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.34743008
• LogD (pH = 7.4): 0.34743062
• Log P: 0.34743062
• Molar Refractivity: 99.1667 cm^3
• Polarizability: 38.224213 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.05
• LOG S: -3.28
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 5