2-benzyl-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 489121
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)Cc1c(C)cccc1)CC2)Cc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)Cc1ccccc1)Cc1ccccc1C
• InChI: InChI=1S/C25H30N2O2/c1-20-7-5-6-10-22(20)17-24(29)26-15-13-25(14-16-26)12-11-23(28)27(19-25)18-21-8-3-2-4-9-21/h2-10H,11-19H2,1H3
• InChIKey: QOKAYLRLVYEYJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-benzyl-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-9-[(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3738413
• LogD (pH = 7.4): 3.3738415
• Log P: 3.3738415
• Molar Refractivity: 115.7971 cm^3
• Polarizability: 44.75041 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.75
• LOG S: -5.25
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4