3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

C15H18N2O3 — CID 16647944

IUPAC3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(Nc2ccc(C)cc2C)C1=O
InChIInChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)16-13-9-14(18)17(15(13)19)6-7-20-3/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeySUEUMHVJTGSBGD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.61
Rot. Bonds5

About 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (PubChem CID 16647944) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
PubChem CID16647944
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(Nc2ccc(C)cc2C)C1=O
InChIInChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)16-13-9-14(18)17(15(13)19)6-7-20-3/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeySUEUMHVJTGSBGD-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.61
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

3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647932
1-(2-methoxyethyl)-3-(4-methyl-3-nitroanilino)pyrrole-2,5-dione
CID 16647955
3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647947
1-(2-methoxyethyl)-3-(4-nitroanilino)pyrrole-2,5-dione
CID 16647996
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-3-methylbenzamide
CID 168560554
1-(2-hydroxyethyl)-3-(4-imidazol-1-yl-2-methylanilino)pyrrole-2,5-dione
CID 168559816
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
3-[3-chloro-4-(2,5-dimethylphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557854
methyl 6-fluoro-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylbenzoate
CID 168557605
1-(2-hydroxyethyl)-3-(2-methyl-5-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168557285
5-[[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-3-methylphenoxy]methyl]furan-2-carboxylic acid
CID 168558477

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (CID 16647944) is 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is COCCN1C(=O)C=C(Nc2ccc(C)cc2C)C1=O.
What is the InChIKey of 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The InChIKey is SUEUMHVJTGSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)16-13-9-14(18)17(15(13)19)6-7-20-3/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 16647944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).