2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide

C22H33N7O6 — CID 88555469

About 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide

2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (PubChem CID 88555469) has the molecular formula C22H33N7O6 and a molecular weight of 491.55 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
• PubChem CID: 88555469
• Molecular Formula: C22H33N7O6
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.25
• IUPAC Name: 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
• SMILES: CC(NC(=O)C(C)N1C(=O)C=CC1=O)NC(C)NC(C)NC(C)NC(=O)C(C)N1C(=O)C=CC1=O
• InChI: InChI=1S/C22H33N7O6/c1-11(28-17(30)7-8-18(28)31)21(34)26-15(5)24-13(3)23-14(4)25-16(6)27-22(35)12(2)29-19(32)9-10-20(29)33/h7-16,23-25H,1-6H3,(H,26,34)(H,27,35)
• InChIKey: PKFYFQKHCRNSHS-UHFFFAOYSA-N
• XLogP: -2.00
• TPSA: 169.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	-2.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?

The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (CID 88555469) is 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.

What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?

The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is CC(NC(=O)C(C)N1C(=O)C=CC1=O)NC(C)NC(C)NC(C)NC(=O)C(C)N1C(=O)C=CC1=O.

What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?

The InChIKey is PKFYFQKHCRNSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O6/c1-11(28-17(30)7-8-18(28)31)21(34)26-15(5)24-13(3)23-14(4)25-16(6)27-22(35)12(2)29-19(32)9-10-20(29)33/h7-16,23-25H,1-6H3,(H,26,34)(H,27,35).

What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?

2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide has a molecular weight of 491.55 g/mol, XLogP of -2.00, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is sourced from PubChem (CID 88555469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).