6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide

C26H38N4O9 — CID 11376281

About 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide (PubChem CID 11376281) has the molecular formula C26H38N4O9 and a molecular weight of 550.61 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide.

Molecular Properties

• Compound Name: 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide
• PubChem CID: 11376281
• Molecular Formula: C26H38N4O9
• Molecular Weight: 550.61 g/mol
• Exact Mass: 550.26
• IUPAC Name: 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide
• SMILES: O=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCC(O)NC(=O)CCCCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C26H38N4O9/c31-20(7-3-1-5-14-29-23(34)9-10-24(29)35)27-13-16-38-17-18-39-19-22(33)28-21(32)8-4-2-6-15-30-25(36)11-12-26(30)37/h9-12,22,33H,1-8,13-19H2,(H,27,31)(H,28,32)
• InChIKey: ZZQDERMCVKEXCL-UHFFFAOYSA-N
• XLogP: -0.46
• TPSA: 171.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.61
LogP ≤ 5	-0.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide?

The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide (CID 11376281) is 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide.

What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide?

The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide is O=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCC(O)NC(=O)CCCCCN1C(=O)C=CC1=O.

What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide?

The InChIKey is ZZQDERMCVKEXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O9/c31-20(7-3-1-5-14-29-23(34)9-10-24(29)35)27-13-16-38-17-18-39-19-22(33)28-21(32)8-4-2-6-15-30-25(36)11-12-26(30)37/h9-12,22,33H,1-8,13-19H2,(H,27,31)(H,28,32).

What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide?

6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide has a molecular weight of 550.61 g/mol, XLogP of -0.46, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide is sourced from PubChem (CID 11376281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).