2-{8-cyclopentyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-2-oxo-N-phenylacetamide

• ChemBase ID: 420345
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)C(=O)Nc1ccccc1)CCC2)C1CCCC1
• Canonical SMILES: O=C1CCC2(CN1C1CCCC1)CCCN(C2)C(=O)C(=O)Nc1ccccc1
• InChI: InChI=1S/C22H29N3O3/c26-19-11-13-22(16-25(19)18-9-4-5-10-18)12-6-14-24(15-22)21(28)20(27)23-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,23,27)
• InChIKey: RNQYCWQBRSZIKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-cyclopentyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-2-oxo-N-phenylacetamide
• IUPAC Traditional name: 2-{8-cyclopentyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-2-oxo-N-phenylacetamide
• Synonyms: 2-(8-cyclopentyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxo-N-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.264854
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2061112
• LogD (pH = 7.4): 2.206056
• Log P: 2.2061126
• Molar Refractivity: 107.7528 cm^3
• Polarizability: 41.230373 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.01
• LOG S: -3.71
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3