N-benzyl-4,7-dimethoxy-N,1-dimethyl-1H-indole-2-carboxamide

• ChemBase ID: 226424
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: c1(n(c2c(c1)c(ccc2OC)OC)C)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: COc1ccc(c2c1n(C)c(c2)C(=O)N(Cc1ccccc1)C)OC
• InChI: InChI=1S/C20H22N2O3/c1-21(13-14-8-6-5-7-9-14)20(23)16-12-15-17(24-3)10-11-18(25-4)19(15)22(16)2/h5-12H,13H2,1-4H3
• InChIKey: CNOBVJCYVLZREU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4,7-dimethoxy-N,1-dimethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-benzyl-4,7-dimethoxy-N,1-dimethylindole-2-carboxamide

Database IDs

• PubChem SID: 164282334
• PubChem CID: 71692365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.922808
• LogD (pH = 7.4): 2.922808
• Log P: 2.922808
• Molar Refractivity: 98.3295 cm^3
• Polarizability: 38.45656 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds