3-(2-hydroxydocosyl)pyrrolidine-2,5-dione

C26H49NO3 — CID 142650711

IUPAC3-(2-hydroxydocosyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCC(O)CC1CC(=O)NC1=O
InChIInChI=1S/C26H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)21-23-22-25(29)27-26(23)30/h23-24,28H,2-22H2,1H3,(H,27,29,30)
InChIKeyNXQRIHUOQMGIDI-UHFFFAOYSA-N
MW423.68 g/mol
LogP6.83
Rot. Bonds21

About 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione

3-(2-hydroxydocosyl)pyrrolidine-2,5-dione (PubChem CID 142650711) has the molecular formula C26H49NO3 and a molecular weight of 423.68 g/mol. Its IUPAC name is 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxydocosyl)pyrrolidine-2,5-dione
PubChem CID142650711
Molecular FormulaC26H49NO3
Molecular Weight423.68 g/mol
Exact Mass423.37
IUPAC Name3-(2-hydroxydocosyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCC(O)CC1CC(=O)NC1=O
InChIInChI=1S/C26H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)21-23-22-25(29)27-26(23)30/h23-24,28H,2-22H2,1H3,(H,27,29,30)
InChIKeyNXQRIHUOQMGIDI-UHFFFAOYSA-N
XLogP6.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.68
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione (CID 142650711) is 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCCCC(O)CC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione?
The InChIKey is NXQRIHUOQMGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)21-23-22-25(29)27-26(23)30/h23-24,28H,2-22H2,1H3,(H,27,29,30).
What are the key properties of 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione?
3-(2-hydroxydocosyl)pyrrolidine-2,5-dione has a molecular weight of 423.68 g/mol, XLogP of 6.83, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxydocosyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 142650711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).