2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid

C20H22N2O5 — CID 120821779

About 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821779) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid
• PubChem CID: 120821779
• Molecular Formula: C20H22N2O5
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.15
• IUPAC Name: 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid
• SMILES: CCc1ccc2c(c1)C(CCNC(=O)c1cc(C(=O)O)c(CC)o1)C(=O)N2
• InChI: InChI=1S/C20H22N2O5/c1-3-11-5-6-15-13(9-11)12(18(23)22-15)7-8-21-19(24)17-10-14(20(25)26)16(4-2)27-17/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
• InChIKey: QHJJTILBQCWFIU-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 108.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid?

The IUPAC name of 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 120821779) is 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid.

What is the SMILES notation for 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid?

The canonical SMILES for 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid is CCc1ccc2c(c1)C(CCNC(=O)c1cc(C(=O)O)c(CC)o1)C(=O)N2.

What is the InChIKey of 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid?

The InChIKey is QHJJTILBQCWFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-11-5-6-15-13(9-11)12(18(23)22-15)7-8-21-19(24)17-10-14(20(25)26)16(4-2)27-17/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,21,24)(H,22,23)(H,25,26).

What are the key properties of 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid?

2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).