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

C94H183N5O4 — CID 101132520

IUPAC1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O
InChIInChI=1S/C94H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h89-90,95-97H,3-88H2,1-2H3
InChIKeyYANLXTFZLMMXEA-UHFFFAOYSA-N
MW1447.53 g/mol
LogP28.19
Rot. Bonds88

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

1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione (PubChem CID 101132520) has the molecular formula C94H183N5O4 and a molecular weight of 1447.53 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione
PubChem CID101132520
Molecular FormulaC94H183N5O4
Molecular Weight1447.53 g/mol
Exact Mass1446.43
IUPAC Name1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O)C1=O
InChIInChI=1S/C94H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h89-90,95-97H,3-88H2,1-2H3
InChIKeyYANLXTFZLMMXEA-UHFFFAOYSA-N
XLogP28.19
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds88
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001447.53
LogP ≤ 528.19
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-octatriacontylpyrrolidine-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-octatriacontylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione (CID 101132520) is 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-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-octatriacontylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)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-octatriacontylpyrrolidine-2,5-dione?
The InChIKey is YANLXTFZLMMXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h89-90,95-97H,3-88H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione?
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione has a molecular weight of 1447.53 g/mol, XLogP of 28.19, 88 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-octatriacontylpyrrolidine-2,5-dione is sourced from PubChem (CID 101132520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).