(2,5-dioxopyrrolidin-1-yl) hexacosanoate

C30H55NO4 — CID 11397787

IUPAC(2,5-dioxopyrrolidin-1-yl) hexacosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C30H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34)35-31-28(32)26-27-29(31)33/h2-27H2,1H3
InChIKeyZTTCVLLRTUELJR-UHFFFAOYSA-N
MW493.77 g/mol
LogP8.98
Rot. Bonds25

About (2,5-dioxopyrrolidin-1-yl) hexacosanoate

(2,5-dioxopyrrolidin-1-yl) hexacosanoate (PubChem CID 11397787) has the molecular formula C30H55NO4 and a molecular weight of 493.77 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) hexacosanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) hexacosanoate
PubChem CID11397787
Molecular FormulaC30H55NO4
Molecular Weight493.77 g/mol
Exact Mass493.41
IUPAC Name(2,5-dioxopyrrolidin-1-yl) hexacosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C30H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34)35-31-28(32)26-27-29(31)33/h2-27H2,1H3
InChIKeyZTTCVLLRTUELJR-UHFFFAOYSA-N
XLogP8.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.77
LogP ≤ 58.98
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) hexacosanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) hexacosanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) hexacosanoate (CID 11397787) is (2,5-dioxopyrrolidin-1-yl) hexacosanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) hexacosanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) hexacosanoate is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) hexacosanoate?
The InChIKey is ZTTCVLLRTUELJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34)35-31-28(32)26-27-29(31)33/h2-27H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) hexacosanoate?
(2,5-dioxopyrrolidin-1-yl) hexacosanoate has a molecular weight of 493.77 g/mol, XLogP of 8.98, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) hexacosanoate is sourced from PubChem (CID 11397787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).