7-ethyl-2-[3-(4-methoxyphenyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 402762
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: C12(C(=O)N(CCC2)CC)CN(C(=O)CCc2ccc(cc2)OC)CC1
• Canonical SMILES: CCN1CCCC2(C1=O)CCN(C2)C(=O)CCc1ccc(cc1)OC
• InChI: InChI=1S/C20H28N2O3/c1-3-21-13-4-11-20(19(21)24)12-14-22(15-20)18(23)10-7-16-5-8-17(25-2)9-6-16/h5-6,8-9H,3-4,7,10-15H2,1-2H3
• InChIKey: CMTPJZDGJISNRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethyl-2-[3-(4-methoxyphenyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-ethyl-2-[3-(4-methoxyphenyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-ethyl-2-[3-(4-methoxyphenyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8470175
• LogD (pH = 7.4): 1.847018
• Log P: 1.847018
• Molar Refractivity: 97.4069 cm^3
• Polarizability: 37.746185 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.47
• LOG S: -3.82
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5