1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione

C92H175N5O4 — CID 6441938

About 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione

1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione (PubChem CID 6441938) has the molecular formula C92H175N5O4 and a molecular weight of 1415.44 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione
• PubChem CID: 6441938
• Molecular Formula: C92H175N5O4
• Molecular Weight: 1415.44 g/mol
• Exact Mass: 1414.36
• IUPAC Name: 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O
• InChI: InChI=1S/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-88-86-90(99)97(92(88)101)84-82-95-80-78-93-77-79-94-81-83-96-89(98)85-87(91(96)100)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3/b75-73+,76-74+
• InChIKey: CFPXYPVVBUPQNQ-SBDKOWOHSA-N
• XLogP: 26.96
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 84
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1415.44
LogP ≤ 5	26.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione (CID 6441938) is 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O.

What is the InChIKey of 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione?

The InChIKey is CFPXYPVVBUPQNQ-SBDKOWOHSA-N. The full InChI is InChI=1S/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-88-86-90(99)97(92(88)101)84-82-95-80-78-93-77-79-94-81-83-96-89(98)85-87(91(96)100)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3/b75-73+,76-74+.

What are the key properties of 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione?

1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione has a molecular weight of 1415.44 g/mol, XLogP of 26.96, 84 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6441938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).