N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C26H27N3O4 — CID 56567233

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56567233) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• PubChem CID: 56567233
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• SMILES: COc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1N1CCCC1=O
• InChI: InChI=1S/C26H27N3O4/c1-17-14-18-6-3-4-7-21(18)29(17)16-24-20(11-13-33-24)26(31)27-19-9-10-23(32-2)22(15-19)28-12-5-8-25(28)30/h3-4,6-7,9-11,13,15,17H,5,8,12,14,16H2,1-2H3,(H,27,31)
• InChIKey: UXTSQOYHHPRWAZ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56567233) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is COc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1N1CCCC1=O.

What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The InChIKey is UXTSQOYHHPRWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17-14-18-6-3-4-7-21(18)29(17)16-24-20(11-13-33-24)26(31)27-19-9-10-23(32-2)22(15-19)28-12-5-8-25(28)30/h3-4,6-7,9-11,13,15,17H,5,8,12,14,16H2,1-2H3,(H,27,31).

What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).