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

• ChemBase ID: 862083
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)Cc1c(C)cccc1)CC2)CCOC
• Canonical SMILES: COCCN1CC2(CCN(CC2)C(=O)Cc2ccccc2C)CCC1=O
• InChI: InChI=1S/C21H30N2O3/c1-17-5-3-4-6-18(17)15-20(25)22-11-9-21(10-12-22)8-7-19(24)23(16-21)13-14-26-2/h3-6H,7-16H2,1-2H3
• InChIKey: OJTAHYYKNMLGEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6023927
• LogD (pH = 7.4): 1.6023928
• Log P: 1.6023928
• Molar Refractivity: 102.228 cm^3
• Polarizability: 39.525345 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: 2.11
• LOG S: -3.62
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5