3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione

C16H22N2O3 — CID 60934337

IUPAC3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCOc1cc(C)ccc1NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C16H22N2O3/c1-5-21-14-8-11(4)6-7-12(14)17-13-9-15(19)18(10(2)3)16(13)20/h6-8,10,13,17H,5,9H2,1-4H3
InChIKeyIYNQQEPHZLJSAO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.34
Rot. Bonds5

About 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 60934337) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID60934337
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCOc1cc(C)ccc1NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C16H22N2O3/c1-5-21-14-8-11(4)6-7-12(14)17-13-9-15(19)18(10(2)3)16(13)20/h6-8,10,13,17H,5,9H2,1-4H3
InChIKeyIYNQQEPHZLJSAO-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
CID 43636189
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
3-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
3-(2-ethoxyanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 43844529
3-[(4-bromo-2-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 167960814

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 60934337) is 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione is CCOc1cc(C)ccc1NC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is IYNQQEPHZLJSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-21-14-8-11(4)6-7-12(14)17-13-9-15(19)18(10(2)3)16(13)20/h6-8,10,13,17H,5,9H2,1-4H3.
What are the key properties of 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 60934337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).