3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione

C14H18N2O3 — CID 43411500

IUPAC3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
SMILESCCOc1ccccc1NC1CC(=O)N(CC)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-16-13(17)9-11(14(16)18)15-10-7-5-6-8-12(10)19-4-2/h5-8,11,15H,3-4,9H2,1-2H3
InChIKeyNWVMJXUGJPUBHQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds5

About 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione

3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione (PubChem CID 43411500) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
PubChem CID43411500
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
SMILESCCOc1ccccc1NC1CC(=O)N(CC)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-16-13(17)9-11(14(16)18)15-10-7-5-6-8-12(10)19-4-2/h5-8,11,15H,3-4,9H2,1-2H3
InChIKeyNWVMJXUGJPUBHQ-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyanilino)-1-ethylpyrrolidine-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-(2-ethoxyanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 43844529
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione
CID 60933364
3-[(3R)-3-(2-ethoxyanilino)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 51568688
3-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione
CID 61166939
1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
CID 43636618
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione (CID 43411500) is 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione is CCOc1ccccc1NC1CC(=O)N(CC)C1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is NWVMJXUGJPUBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-16-13(17)9-11(14(16)18)15-10-7-5-6-8-12(10)19-4-2/h5-8,11,15H,3-4,9H2,1-2H3.
What are the key properties of 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione?
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 43411500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).