N-(2-ethoxyethyl)-1,7-dimethyl-1H-indole-2-carboxamide

• ChemBase ID: 644615
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: n1(c(cc2c1c(ccc2)C)C(=O)NCCOCC)C
• Canonical SMILES: CCOCCNC(=O)c1cc2c(n1C)c(C)ccc2
• InChI: InChI=1S/C15H20N2O2/c1-4-19-9-8-16-15(18)13-10-12-7-5-6-11(2)14(12)17(13)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
• InChIKey: ZURGUZFHIIJEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyethyl)-1,7-dimethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-(2-ethoxyethyl)-1,7-dimethylindole-2-carboxamide
• Synonyms: N-(2-ethoxyethyl)-1,7-dimethyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.073486
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.113255
• LogD (pH = 7.4): 2.1132553
• Log P: 2.1132553
• Molar Refractivity: 76.7271 cm^3
• Polarizability: 29.958998 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.81
• LOG S: -2.65
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 5