3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione

C20H20N2O2 — CID 110594524

IUPAC3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-4-22-19(23)17(15-8-6-5-7-9-15)18(20(22)24)21-16-11-10-13(2)14(3)12-16/h5-12,21H,4H2,1-3H3
InChIKeySLMZYBDPIURIHS-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.52
Rot. Bonds4

About 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione

3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione (PubChem CID 110594524) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
PubChem CID110594524
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-4-22-19(23)17(15-8-6-5-7-9-15)18(20(22)24)21-16-11-10-13(2)14(3)12-16/h5-12,21H,4H2,1-3H3
InChIKeySLMZYBDPIURIHS-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110594516
3-(3,4-dimethylanilino)-1-[2-(3,5-dimethylphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594936
3-(3,4-dimethylanilino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110593951
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110589098
3-anilino-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586261
3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110599287
3-(3,4-dimethylanilino)-1-(2,4-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595997
3-(3,4-dimethylanilino)-4-(4-nitrophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110584978
3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110588824
1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110593971
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110589564
3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110593067

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione (CID 110594524) is 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione is CCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
The InChIKey is SLMZYBDPIURIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-22-19(23)17(15-8-6-5-7-9-15)18(20(22)24)21-16-11-10-13(2)14(3)12-16/h5-12,21H,4H2,1-3H3.
What are the key properties of 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione has a molecular weight of 320.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).