2-(4-methylpentanoyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 368745
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: C12(C(=O)N(CCCc3ccccc3)CCC2)CN(C(=O)CCC(C)C)CC1
• Canonical SMILES: CC(CCC(=O)N1CCC2(C1)CCCN(C2=O)CCCc1ccccc1)C
• InChI: InChI=1S/C23H34N2O2/c1-19(2)11-12-21(26)25-17-14-23(18-25)13-7-16-24(22(23)27)15-6-10-20-8-4-3-5-9-20/h3-5,8-9,19H,6-7,10-18H2,1-2H3
• InChIKey: NOTNATYJTDLIBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.703367
• LogD (pH = 7.4): 3.7033682
• Log P: 3.7033682
• Molar Refractivity: 109.2183 cm^3
• Polarizability: 42.597015 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.37
• LOG S: -4.62
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6