1-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(furan-2-yl)ethane-1,2-dione

• ChemBase ID: 389190
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)C(=O)c2occc2)CC1
• Canonical SMILES: O=C(C(=O)c1ccco1)N1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C19H24N2O4/c22-16(15-6-2-11-25-15)17(23)21-10-8-19(13-21)7-3-9-20(18(19)24)12-14-4-1-5-14/h2,6,11,14H,1,3-5,7-10,12-13H2
• InChIKey: VOLJGGKEYGYLFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(furan-2-yl)ethane-1,2-dione
• IUPAC Traditional name: 1-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(furan-2-yl)ethane-1,2-dione
• Synonyms: 7-(cyclobutylmethyl)-2-[2-furyl(oxo)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3681973
• LogD (pH = 7.4): 1.3681986
• Log P: 1.3681986
• Molar Refractivity: 91.4181 cm^3
• Polarizability: 35.15726 Å^3
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.69
• LOG S: -2.3
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 4