1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione

C26H45NO4 — CID 58143563

IUPAC1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
SMILESCC(=O)CCCCCCCCCCCCCCCCC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C26H45NO4/c1-22-21-25(30)27(26(22)31)20-19-24(29)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(2)28/h22H,3-21H2,1-2H3
InChIKeyWWMQNJSUUSMHTD-UHFFFAOYSA-N
MW435.65 g/mol
LogP6.17
Rot. Bonds20

About 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione

1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 58143563) has the molecular formula C26H45NO4 and a molecular weight of 435.65 g/mol. Its IUPAC name is 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
PubChem CID58143563
Molecular FormulaC26H45NO4
Molecular Weight435.65 g/mol
Exact Mass435.33
IUPAC Name1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
SMILESCC(=O)CCCCCCCCCCCCCCCCC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C26H45NO4/c1-22-21-25(30)27(26(22)31)20-19-24(29)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(2)28/h22H,3-21H2,1-2H3
InChIKeyWWMQNJSUUSMHTD-UHFFFAOYSA-N
XLogP6.17
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.65
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
CID 165403609
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide
CID 58143532
2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 58143581
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine
CID 163973889

Frequently Asked Questions

What is the IUPAC name of 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione (CID 58143563) is 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione is CC(=O)CCCCCCCCCCCCCCCCC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is WWMQNJSUUSMHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO4/c1-22-21-25(30)27(26(22)31)20-19-24(29)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(2)28/h22H,3-21H2,1-2H3.
What are the key properties of 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione?
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 435.65 g/mol, XLogP of 6.17, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 58143563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).