N,4-dimethyl-4-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetamido]pentanamide

• ChemBase ID: 738627
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NC(CCC(=O)NC)(C)C
• Canonical SMILES: CNC(=O)CCC(NC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C)(C)C
• InChI: InChI=1S/C20H29N3O2/c1-12-9-13(2)19-16(10-12)15(14(3)22-19)11-18(25)23-20(4,5)8-7-17(24)21-6/h9-10,22H,7-8,11H2,1-6H3,(H,21,24)(H,23,25)
• InChIKey: OQRXGALMLJWADC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-4-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetamido]pentanamide
• IUPAC Traditional name: N,4-dimethyl-4-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetamido]pentanamide
• Synonyms: N,4-dimethyl-4-{[(2,5,7-trimethyl-1H-indol-3-yl)acetyl]amino}pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.629853
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.4704359
• LogD (pH = 7.4): 2.470436
• Log P: 2.470436
• Molar Refractivity: 101.718 cm^3
• Polarizability: 39.816982 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 1.8
• LOG S: -3.24
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 6