N,4-dimethyl-4-[(3-methyl-1H-indol-2-yl)formamido]pentanamide

• ChemBase ID: 449227
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c1([nH]c2c(c1C)cccc2)C(=O)NC(CCC(=O)NC)(C)C
• Canonical SMILES: CNC(=O)CCC(NC(=O)c1[nH]c2c(c1C)cccc2)(C)C
• InChI: InChI=1S/C17H23N3O2/c1-11-12-7-5-6-8-13(12)19-15(11)16(22)20-17(2,3)10-9-14(21)18-4/h5-8,19H,9-10H2,1-4H3,(H,18,21)(H,20,22)
• InChIKey: MXYLIZRRAFGHRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-4-[(3-methyl-1H-indol-2-yl)formamido]pentanamide
• IUPAC Traditional name: N,4-dimethyl-4-[(3-methyl-1H-indol-2-yl)formamido]pentanamide
• Synonyms: N-[1,1-dimethyl-4-(methylamino)-4-oxobutyl]-3-methyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.546877
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.6972889
• LogD (pH = 7.4): 1.6972888
• Log P: 1.6972891
• Molar Refractivity: 87.3532 cm^3
• Polarizability: 34.235176 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 2.22
• LOG S: -3.29
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 5