3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide

C25H36N4O9 — CID 59628089

About 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide (PubChem CID 59628089) has the molecular formula C25H36N4O9 and a molecular weight of 536.58 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide
• PubChem CID: 59628089
• Molecular Formula: C25H36N4O9
• Molecular Weight: 536.58 g/mol
• Exact Mass: 536.25
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide
• SMILES: CC(COCCOCC(C)OCC(C)NC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C25H36N4O9/c1-17(26-20(30)8-10-28-22(32)4-5-23(28)33)14-36-12-13-37-16-19(3)38-15-18(2)27-21(31)9-11-29-24(34)6-7-25(29)35/h4-7,17-19H,8-16H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: BXGVDXFZQJCARY-UHFFFAOYSA-N
• XLogP: -0.94
• TPSA: 160.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.58
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide (CID 59628089) is 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide is CC(COCCOCC(C)OCC(C)NC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide?

The InChIKey is BXGVDXFZQJCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O9/c1-17(26-20(30)8-10-28-22(32)4-5-23(28)33)14-36-12-13-37-16-19(3)38-15-18(2)27-21(31)9-11-29-24(34)6-7-25(29)35/h4-7,17-19H,8-16H2,1-3H3,(H,26,30)(H,27,31).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide has a molecular weight of 536.58 g/mol, XLogP of -0.94, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide is sourced from PubChem (CID 59628089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).