1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione

C20H32N2O4 — CID 19044899

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21-17(23)12-13-18(21)24)22-19(25)14-15-20(22)26/h16H,2-15H2,1H3
InChIKeyIIXIQPLVQNRZNC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.53
Rot. Bonds12

About 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione (PubChem CID 19044899) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione
PubChem CID19044899
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21-17(23)12-13-18(21)24)22-19(25)14-15-20(22)26/h16H,2-15H2,1H3
InChIKeyIIXIQPLVQNRZNC-UHFFFAOYSA-N
XLogP3.53
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.53
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 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione 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 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione (CID 19044899) is 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione is CCCCCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione?
The InChIKey is IIXIQPLVQNRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21-17(23)12-13-18(21)24)22-19(25)14-15-20(22)26/h16H,2-15H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione has a molecular weight of 364.49 g/mol, XLogP of 3.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19044899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).