(6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide

C44H72N4O16 — CID 166090122

About (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide

(6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide (PubChem CID 166090122) has the molecular formula C44H72N4O16 and a molecular weight of 913.07 g/mol. Its IUPAC name is (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide.

Molecular Properties

• Compound Name: (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide
• PubChem CID: 166090122
• Molecular Formula: C44H72N4O16
• Molecular Weight: 913.07 g/mol
• Exact Mass: 912.49
• IUPAC Name: (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC/C(=N/NC(=O)CCN1C(=O)C=CC1=O)c1ccccc1
• InChI: InChI=1S/C44H72N4O16/c1-53-17-18-55-21-22-57-25-26-59-29-30-61-33-34-63-37-38-64-36-35-62-32-31-60-28-27-58-24-23-56-20-19-54-16-14-45-41(49)10-6-5-9-40(39-7-3-2-4-8-39)46-47-42(50)13-15-48-43(51)11-12-44(48)52/h2-4,7-8,11-12H,5-6,9-10,13-38H2,1H3,(H,45,49)(H,47,50)/b46-40-
• InChIKey: GMBJQHNMOGPEKZ-QZWQKAIQSA-N
• XLogP: 1.33
• TPSA: 218.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 46
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.07
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide?

The IUPAC name of (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide (CID 166090122) is (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide.

What is the SMILES notation for (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide?

The canonical SMILES for (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC/C(=N/NC(=O)CCN1C(=O)C=CC1=O)c1ccccc1.

What is the InChIKey of (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide?

The InChIKey is GMBJQHNMOGPEKZ-QZWQKAIQSA-N. The full InChI is InChI=1S/C44H72N4O16/c1-53-17-18-55-21-22-57-25-26-59-29-30-61-33-34-63-37-38-64-36-35-62-32-31-60-28-27-58-24-23-56-20-19-54-16-14-45-41(49)10-6-5-9-40(39-7-3-2-4-8-39)46-47-42(50)13-15-48-43(51)11-12-44(48)52/h2-4,7-8,11-12H,5-6,9-10,13-38H2,1H3,(H,45,49)(H,47,50)/b46-40-.

What are the key properties of (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide?

(6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide has a molecular weight of 913.07 g/mol, XLogP of 1.33, 46 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylhydrazinylidene]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-phenylhexanamide is sourced from PubChem (CID 166090122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).