N-(1-ethyl-2-methyl-1H-indol-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 452293
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n1(c(cc2c1ccc(NC(=O)N1CCC3(OC(=O)NC3)CCC1)c2)C)CC
• Canonical SMILES: CCn1c(C)cc2c1ccc(c2)NC(=O)N1CCCC2(CC1)CNC(=O)O2
• InChI: InChI=1S/C20H26N4O3/c1-3-24-14(2)11-15-12-16(5-6-17(15)24)22-18(25)23-9-4-7-20(8-10-23)13-21-19(26)27-20/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,21,26)(H,22,25)
• InChIKey: DDFFVMGCACCUCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-2-methyl-1H-indol-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: N-(1-ethyl-2-methylindol-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: N-(1-ethyl-2-methyl-1H-indol-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.770354
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.122492
• LogD (pH = 7.4): 2.1224904
• Log P: 2.122492
• Molar Refractivity: 104.287 cm^3
• Polarizability: 40.24303 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.62
• LOG S: -4.14
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2