N-methoxy-N-methyl-1H-indole-2-carboxamide

• ChemBase ID: 814468
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1(cc2ccccc2[nH]1)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1cc2c([nH]1)cccc2)C
• InChI: InChI=1S/C11H12N2O2/c1-13(15-2)11(14)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,1-2H3
• InChIKey: VRWATQWEBYZACT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-1H-indole-2-carboxamide
• Synonyms: N-methoxy-N-methyl-1H-indole-2-carboxamide

Database IDs

• CAS Number: 156571-69-6

CALCULATED PROPERTIES

• Acid pKa: 11.95444
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4411042
• LogD (pH = 7.4): 1.4410937
• Log P: 1.4411043
• Molar Refractivity: 57.244 cm^3
• Polarizability: 22.742586 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%