N-[2-(5-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide

• ChemBase ID: 183952
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)c1occc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1ccco1)c[nH]2
• InChI: InChI=1S/C16H16N2O3/c1-20-12-4-5-14-13(9-12)11(10-18-14)6-7-17-16(19)15-3-2-8-21-15/h2-5,8-10,18H,6-7H2,1H3,(H,17,19)
• InChIKey: ASCNVTSWVQOMQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164239862
• PubChem CID: 667742

CALCULATED PROPERTIES

• Acid pKa: 14.024163
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.062034
• LogD (pH = 7.4): 2.062034
• Log P: 2.062034
• Molar Refractivity: 79.3413 cm^3
• Polarizability: 31.022388 Å^3
• Polar Surface Area: 67.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds