N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide

• ChemBase ID: 759700
• Molecular Formular: C22H32N4O3
• Molecular Mass: 400.51448
• Monoisotopic Mass: 400.2474409
• SMILES: c12c(c(n(c1CC(CC2=O)(C)C)CCC)C)CC(=O)N(C(c1nc(no1)C)C)C
• Canonical SMILES: CCCn1c(C)c(c2c1CC(C)(C)CC2=O)CC(=O)N(C(c1onc(n1)C)C)C
• InChI: InChI=1S/C22H32N4O3/c1-8-9-26-13(2)16(20-17(26)11-22(5,6)12-18(20)27)10-19(28)25(7)14(3)21-23-15(4)24-29-21/h14H,8-12H2,1-7H3
• InChIKey: SUUDQNBWSWPNST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-5,7-dihydroindol-3-yl)acetamide
• Synonyms: N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.381702
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8552558
• LogD (pH = 7.4): 2.8552558
• Log P: 2.8552558
• Molar Refractivity: 114.0569 cm^3
• Polarizability: 42.51907 Å^3
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.04
• LOG S: -4.72
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 6