2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxo-N-phenylacetamide

• ChemBase ID: 472533
• Molecular Formular: C21H27N3O3
• Molecular Mass: 369.45738
• Monoisotopic Mass: 369.20524174
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)C(=O)Nc2ccccc2)CC1
• Canonical SMILES: O=C(C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1)Nc1ccccc1
• InChI: InChI=1S/C21H27N3O3/c25-18(22-17-8-2-1-3-9-17)19(26)24-13-11-21(15-24)10-5-12-23(20(21)27)14-16-6-4-7-16/h1-3,8-9,16H,4-7,10-15H2,(H,22,25)
• InChIKey: UKELREAUXMLFCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxo-N-phenylacetamide
• IUPAC Traditional name: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxo-N-phenylacetamide
• Synonyms: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxo-N-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.264684
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9880128
• LogD (pH = 7.4): 1.9879584
• Log P: 1.9880148
• Molar Refractivity: 103.4874 cm^3
• Polarizability: 39.392464 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.72
• LOG S: -3.36
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4