N-methoxy-N-methyl-1H-indole-3-carboxamide

• ChemBase ID: 810409
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1c(c2ccccc2[nH]1)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C11H12N2O2/c1-13(15-2)11(14)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,1-2H3
• InChIKey: UYTJMACZQVKQGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-1H-indole-3-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-1H-indole-3-carboxamide
• Synonyms: N-METHOXY-N-METHYL-1H-INDOLE-3-CARBOXAMIDE

Database IDs

• CAS Number: 214759-95-2

CALCULATED PROPERTIES

• Acid pKa: 12.913714
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5211031
• LogD (pH = 7.4): 1.5211018
• Log P: 1.5211031
• Molar Refractivity: 57.3665 cm^3
• Polarizability: 22.742455 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%