2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide

C22H26N4O5 — CID 71821831

About 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide

2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 71821831) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
• PubChem CID: 71821831
• Molecular Formula: C22H26N4O5
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21
• InChI: InChI=1S/C22H26N4O5/c1-13(2)23-17(27)11-25-19-15-9-5-6-10-16(15)31-20(19)21(29)26(22(25)30)12-18(28)24-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)
• InChIKey: UFDGFXSVYRXLSF-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 115.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	1.49
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-propan-2-ylacetamide?

The IUPAC name of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide (CID 71821831) is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide.

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

The canonical SMILES for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21.

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

The InChIKey is UFDGFXSVYRXLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-13(2)23-17(27)11-25-19-15-9-5-6-10-16(15)31-20(19)21(29)26(22(25)30)12-18(28)24-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28).

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

2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 426.47 g/mol, XLogP of 1.49, 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-propan-2-ylacetamide is sourced from PubChem (CID 71821831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).