N-ethyl-2,3-dihydro-1H-indole-5-carboxamide

• ChemBase ID: 270494
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C(=O)(c1cc2c(NCC2)cc1)NCC
• Canonical SMILES: CCNC(=O)c1ccc2c(c1)CCN2
• InChI: InChI=1S/C11H14N2O/c1-2-12-11(14)9-3-4-10-8(7-9)5-6-13-10/h3-4,7,13H,2,5-6H2,1H3,(H,12,14)
• InChIKey: OYJWNOJRABEQMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
• IUPAC Traditional name: N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
• Synonyms: N-ethyl-2,3-dihydro-1H-indole-5-carboxamide

Database IDs

• MDL Number: MFCD11181011
• PubChem SID: 164326404
• PubChem CID: 43142422

CALCULATED PROPERTIES

• Acid pKa: 15.772977
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9119023
• LogD (pH = 7.4): 0.91697174
• Log P: 0.9170368
• Molar Refractivity: 58.2851 cm^3
• Polarizability: 20.85519 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.37

Product Information

• Purity: 95%