N-[2-(dimethylamino)ethyl]-1-methyl-1H-indole-4-carboxamide

• ChemBase ID: 226907
• Molecular Formular: C14H19N3O
• Molecular Mass: 245.32016
• Monoisotopic Mass: 245.15281224
• SMILES: c12ccn(c1cccc2C(=O)NCCN(C)C)C
• Canonical SMILES: CN(CCNC(=O)c1cccc2c1ccn2C)C
• InChI: InChI=1S/C14H19N3O/c1-16(2)10-8-15-14(18)12-5-4-6-13-11(12)7-9-17(13)3/h4-7,9H,8,10H2,1-3H3,(H,15,18)
• InChIKey: ISDOYOLQWMCDRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-1-methyl-1H-indole-4-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-1-methylindole-4-carboxamide

Database IDs

• PubChem SID: 164282817
• PubChem CID: 71754054

CALCULATED PROPERTIES

• Acid pKa: 15.316055
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4991341
• LogD (pH = 7.4): 0.24944244
• Log P: 1.3886448
• Molar Refractivity: 74.0354 cm^3
• Polarizability: 29.045523 Å^3
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds