2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide

C42H74N6O15 — CID 171802235

About 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide

2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide (PubChem CID 171802235) has the molecular formula C42H74N6O15 and a molecular weight of 903.08 g/mol. Its IUPAC name is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide.

Molecular Properties

• Compound Name: 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide
• PubChem CID: 171802235
• Molecular Formula: C42H74N6O15
• Molecular Weight: 903.08 g/mol
• Exact Mass: 902.52
• IUPAC Name: 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NCC(=O)NC(C)C(=O)NC(C)C
• InChI: InChI=1S/C42H74N6O15/c1-33(2)45-41(54)34(3)46-38(51)32-44-42(55)35(47-37(50)11-6-5-9-16-48-39(52)12-13-40(48)53)10-7-8-15-43-36(49)14-17-57-20-21-59-24-25-61-28-29-63-31-30-62-27-26-60-23-22-58-19-18-56-4/h12-13,33-35H,5-11,14-32H2,1-4H3,(H,43,49)(H,44,55)(H,45,54)(H,46,51)(H,47,50)
• InChIKey: CDRPGQAPFHBKDW-UHFFFAOYSA-N
• XLogP: -0.46
• TPSA: 256.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 42
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.08
LogP ≤ 5	-0.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide?

The IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide (CID 171802235) is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide.

What is the SMILES notation for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide?

The canonical SMILES for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide is COCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NCC(=O)NC(C)C(=O)NC(C)C.

What is the InChIKey of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide?

The InChIKey is CDRPGQAPFHBKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H74N6O15/c1-33(2)45-41(54)34(3)46-38(51)32-44-42(55)35(47-37(50)11-6-5-9-16-48-39(52)12-13-40(48)53)10-7-8-15-43-36(49)14-17-57-20-21-59-24-25-61-28-29-63-31-30-62-27-26-60-23-22-58-19-18-56-4/h12-13,33-35H,5-11,14-32H2,1-4H3,(H,43,49)(H,44,55)(H,45,54)(H,46,51)(H,47,50).

What are the key properties of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide?

2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide has a molecular weight of 903.08 g/mol, XLogP of -0.46, 42 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-oxo-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]ethyl]hexanamide is sourced from PubChem (CID 171802235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).