1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione

C96H187N5O4 — CID 90684404

IUPAC1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O
InChIInChI=1S/C96H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-91-89-93(102)100(95(91)104)87-85-98-83-81-97-82-84-99-86-88-101-94(103)90-92(96(101)105)80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h91-92,97-99H,3-90H2,1-2H3
InChIKeyANFXQNXZINWBMH-UHFFFAOYSA-N
MW1475.58 g/mol
LogP28.97
Rot. Bonds90

About 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione

1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione (PubChem CID 90684404) has the molecular formula C96H187N5O4 and a molecular weight of 1475.58 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
PubChem CID90684404
Molecular FormulaC96H187N5O4
Molecular Weight1475.58 g/mol
Exact Mass1474.46
IUPAC Name1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O
InChIInChI=1S/C96H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-91-89-93(102)100(95(91)104)87-85-98-83-81-97-82-84-99-86-88-101-94(103)90-92(96(101)105)80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h91-92,97-99H,3-90H2,1-2H3
InChIKeyANFXQNXZINWBMH-UHFFFAOYSA-N
XLogP28.97
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds90
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001475.58
LogP ≤ 528.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione (CID 90684404) is 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O.
What is the InChIKey of 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione?
The InChIKey is ANFXQNXZINWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-91-89-93(102)100(95(91)104)87-85-98-83-81-97-82-84-99-86-88-101-94(103)90-92(96(101)105)80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h91-92,97-99H,3-90H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione?
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione has a molecular weight of 1475.58 g/mol, XLogP of 28.97, 90 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-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione is sourced from PubChem (CID 90684404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).