2-chloro-N-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

• ChemBase ID: 232429
• Molecular Formular: C11H16ClN3O3
• Molecular Mass: 273.71604
• Monoisotopic Mass: 273.08801907
• SMILES: N1(C(=O)NC2(C1=O)CCC(CC2)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC2(C1=O)CCC(CC2)C
• InChI: InChI=1S/C11H16ClN3O3/c1-7-2-4-11(5-3-7)9(17)15(10(18)13-11)14-8(16)6-12/h7H,2-6H2,1H3,(H,13,18)(H,14,16)
• InChIKey: WBYRTEWWUGFVLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
• IUPAC Traditional name: 2-chloro-N-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
• Synonyms: 2-Chloro-N-(8-methyl-2,4-dioxo-1,3-diaza-spiro[4.5]dec-3-yl)-acetamide

Database IDs

• MDL Number: MFCD04621523
• PubChem SID: 164288339
• PubChem CID: 3721582

CALCULATED PROPERTIES

• Acid pKa: 7.2851486
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.80585694
• LogD (pH = 7.4): 0.50998694
• Log P: 0.8121107
• Molar Refractivity: 64.2678 cm^3
• Polarizability: 25.16719 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 170°C
• Hydrophobicity(logP): 0.445

Product Information

• Purity: 95%