N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide

• ChemBase ID: 183090
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)c1occc1
• Canonical SMILES: O=C(c1ccco1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C15H14N2O2/c18-15(14-6-3-9-19-14)16-8-7-11-10-17-13-5-2-1-4-12(11)13/h1-6,9-10,17H,7-8H2,(H,16,18)
• InChIKey: DRMVPEKPNDBZMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164239000
• PubChem CID: 744531

CALCULATED PROPERTIES

• Acid pKa: 14.022462
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.219705
• LogD (pH = 7.4): 2.219705
• Log P: 2.219705
• Molar Refractivity: 72.8781 cm^3
• Polarizability: 28.511301 Å^3
• Polar Surface Area: 58.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds