2-{8-[(1-methyl-1H-indol-3-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetamide

• ChemBase ID: 620815
• Molecular Formular: C24H33N5O3
• Molecular Mass: 439.55052
• Monoisotopic Mass: 439.25833994
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cn(c3c1cccc3)C)CC2)CCC(C)C)CC(=O)N
• Canonical SMILES: CC(CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cn(c2c1cccc2)C)CC(=O)N)C
• InChI: InChI=1S/C24H33N5O3/c1-17(2)8-11-29-23(32)28(16-21(25)30)22(31)24(29)9-12-27(13-10-24)15-18-14-26(3)20-7-5-4-6-19(18)20/h4-7,14,17H,8-13,15-16H2,1-3H3,(H2,25,30)
• InChIKey: FKEWVFSCAGHODY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-[(1-methyl-1H-indol-3-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetamide
• IUPAC Traditional name: 2-[1-(3-methylbutyl)-8-[(1-methylindol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• Synonyms: 2-{1-(3-methylbutyl)-8-[(1-methyl-1H-indol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.900373
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7157304
• LogD (pH = 7.4): -0.23802248
• Log P: 1.5809549
• Molar Refractivity: 123.2552 cm^3
• Polarizability: 48.6043 Å^3
• Polar Surface Area: 91.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.59
• LOG S: -3.56
• Polar Surface Area: 91.88 Å^2
• Rotatable Bonds: 6