N-cyclopropyl-2-[(3,5,7-trimethyl-1H-indol-2-yl)formamido]acetamide

• ChemBase ID: 689216
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1([nH]c2c(c1C)cc(cc2C)C)C(=O)NCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CNC(=O)c1[nH]c2c(c1C)cc(cc2C)C
• InChI: InChI=1S/C17H21N3O2/c1-9-6-10(2)15-13(7-9)11(3)16(20-15)17(22)18-8-14(21)19-12-4-5-12/h6-7,12,20H,4-5,8H2,1-3H3,(H,18,22)(H,19,21)
• InChIKey: DXICHRSBFLLSAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[(3,5,7-trimethyl-1H-indol-2-yl)formamido]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[(3,5,7-trimethyl-1H-indol-2-yl)formamido]acetamide
• Synonyms: N-[2-(cyclopropylamino)-2-oxoethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• LogD (pH = 5.5): 1.9668707
• LogD (pH = 7.4): 1.9668707
• Log P: 1.9668708
• Molar Refractivity: 86.1354 cm^3
• Polarizability: 33.34693 Å^3
• Polar Surface Area: 73.99 Å^2
• Acid pKa: 14.062572
• H Acceptors: 2
• H Donor: 3

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Donor: 3
• Log P: 2.74
• LOG S: -3.72
• Polar Surface Area: 73.99 Å^2
• H Acceptors: 2