2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 540573
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: N1(C(=O)CCC2(C1)CN(CC(=O)NCc1occc1)CCC2)C1CC1
• Canonical SMILES: O=C(CN1CCCC2(C1)CCC(=O)N(C2)C1CC1)NCc1ccco1
• InChI: InChI=1S/C19H27N3O3/c23-17(20-11-16-3-1-10-25-16)12-21-9-2-7-19(13-21)8-6-18(24)22(14-19)15-4-5-15/h1,3,10,15H,2,4-9,11-14H2,(H,20,23)
• InChIKey: PXXVRPKFQZHSLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-N-(furan-2-ylmethyl)acetamide
• Synonyms: 2-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-N-(2-furylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.393502
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2693675
• LogD (pH = 7.4): 0.18509108
• Log P: 0.37562132
• Molar Refractivity: 94.0144 cm^3
• Polarizability: 36.592026 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.08
• LOG S: -2.64
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 5