N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide

C28H34N4O4 — CID 20641863

About N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide

N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide (PubChem CID 20641863) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide
• PubChem CID: 20641863
• Molecular Formula: C28H34N4O4
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.26
• IUPAC Name: N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide
• SMILES: CC(=O)CC(NC(=O)CN1CCC(CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2c(c1)OCC2
• InChI: InChI=1S/C28H34N4O4/c1-18(33)15-24(22-5-4-19-11-14-36-25(19)16-22)31-26(34)17-32-13-10-21(28(32)35)7-9-23-8-6-20-3-2-12-29-27(20)30-23/h4-6,8,16,21,24H,2-3,7,9-15,17H2,1H3,(H,29,30)(H,31,34)
• InChIKey: BIGWGHAHVYDLFT-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide?

The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide (CID 20641863) is N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide is CC(=O)CC(NC(=O)CN1CCC(CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2c(c1)OCC2.

What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide?

The InChIKey is BIGWGHAHVYDLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18(33)15-24(22-5-4-19-11-14-36-25(19)16-22)31-26(34)17-32-13-10-21(28(32)35)7-9-23-8-6-20-3-2-12-29-27(20)30-23/h4-6,8,16,21,24H,2-3,7,9-15,17H2,1H3,(H,29,30)(H,31,34).

What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide?

N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide has a molecular weight of 490.60 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 20641863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).