N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H25N3O4 — CID 155945349

About N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 155945349) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 155945349
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CC(CN1CCCC1=O)NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
• InChI: InChI=1S/C23H25N3O4/c1-15(14-26-11-5-10-21(26)27)24-22(28)17-7-4-8-18(12-17)25-23(29)20-13-16-6-2-3-9-19(16)30-20/h2-4,6-9,12,15,20H,5,10-11,13-14H2,1H3,(H,24,28)(H,25,29)
• InChIKey: UMXCTYZDKUUKBI-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 155945349) is N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(CN1CCCC1=O)NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.

What is the InChIKey of N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is UMXCTYZDKUUKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(14-26-11-5-10-21(26)27)24-22(28)17-7-4-8-18(12-17)25-23(29)20-13-16-6-2-3-9-19(16)30-20/h2-4,6-9,12,15,20H,5,10-11,13-14H2,1H3,(H,24,28)(H,25,29).

What are the key properties of N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155945349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).