3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione

C18H25NO2 — CID 146383825

IUPAC3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESCCCC(C)(C)c1ccc(N2C(=O)CC(CC)C2=O)cc1
InChIInChI=1S/C18H25NO2/c1-5-11-18(3,4)14-7-9-15(10-8-14)19-16(20)12-13(6-2)17(19)21/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyBSIMNSHAIAGUIS-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.05
Rot. Bonds5

About 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione

3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 146383825) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione
PubChem CID146383825
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESCCCC(C)(C)c1ccc(N2C(=O)CC(CC)C2=O)cc1
InChIInChI=1S/C18H25NO2/c1-5-11-18(3,4)14-7-9-15(10-8-14)19-16(20)12-13(6-2)17(19)21/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyBSIMNSHAIAGUIS-UHFFFAOYSA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]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

Related Compounds

3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 134410037
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
CID 166462610
(3S)-1-(4-tert-butylphenyl)-3-[(E)-dodec-2-enyl]pyrrolidine-2,5-dione
CID 98105838
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide
CID 166462604
4-[4-(3-hexan-3-yl-2,5-dioxopyrrolidin-1-yl)phenyl]-2,2,4-trimethylpentanal
CID 130319944
1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
CID 141142430
4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 98105119
1-[4-(2-methylpentan-2-yl)phenyl]piperazine
CID 135207965
CID 174135081
CID 174135081
4-[(3R)-3-[(3,5-dimethylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 822196
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione (CID 146383825) is 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione is CCCC(C)(C)c1ccc(N2C(=O)CC(CC)C2=O)cc1.
What is the InChIKey of 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is BSIMNSHAIAGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-11-18(3,4)14-7-9-15(10-8-14)19-16(20)12-13(6-2)17(19)21/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione?
3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 287.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 146383825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).