2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide

C28H28N4O5 — CID 71821790

About 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide

2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 71821790) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
• PubChem CID: 71821790
• Molecular Formula: C28H28N4O5
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.21
• IUPAC Name: 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
• SMILES: O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)NC2CCc3ccccc32)c1=O)NC1CCCC1
• InChI: InChI=1S/C28H28N4O5/c33-23(29-18-8-2-3-9-18)16-32-27(35)26-25(20-11-5-6-12-22(20)37-26)31(28(32)36)15-24(34)30-21-14-13-17-7-1-4-10-19(17)21/h1,4-7,10-12,18,21H,2-3,8-9,13-16H2,(H,29,33)(H,30,34)
• InChIKey: OXTPLYGCLJXWPU-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 115.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?

The IUPAC name of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 71821790) is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

What is the SMILES notation for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?

The canonical SMILES for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide is O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)NC2CCc3ccccc32)c1=O)NC1CCCC1.

What is the InChIKey of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?

The InChIKey is OXTPLYGCLJXWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c33-23(29-18-8-2-3-9-18)16-32-27(35)26-25(20-11-5-6-12-22(20)37-26)31(28(32)36)15-24(34)30-21-14-13-17-7-1-4-10-19(17)21/h1,4-7,10-12,18,21H,2-3,8-9,13-16H2,(H,29,33)(H,30,34).

What are the key properties of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?

2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 500.56 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 71821790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).