2-[3-(2-ethoxyphenyl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 552242
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: N1(C(=O)CCC2(C1)CCNCC2)CCCc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CCCN1CC2(CCNCC2)CCC1=O
• InChI: InChI=1S/C20H30N2O2/c1-2-24-18-8-4-3-6-17(18)7-5-15-22-16-20(10-9-19(22)23)11-13-21-14-12-20/h3-4,6,8,21H,2,5,7,9-16H2,1H3
• InChIKey: PNDJRIJNDCVIOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-ethoxyphenyl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-[3-(2-ethoxyphenyl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-[3-(2-ethoxyphenyl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.87149876
• LogD (pH = 7.4): -0.18412796
• Log P: 2.3485045
• Molar Refractivity: 97.0359 cm^3
• Polarizability: 38.066116 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -4.34
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6