3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione

C28H28N2O3 — CID 110580280

IUPAC3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(C)cc2C)C(=O)N(c2cc(C)ccc2OC)C1=O)c1ccccc1
InChIInChI=1S/C28H28N2O3/c1-6-29(21-10-8-7-9-11-21)26-25(22-14-12-18(2)16-20(22)4)27(31)30(28(26)32)23-17-19(3)13-15-24(23)33-5/h7-17H,6H2,1-5H3
InChIKeyJITDLVYKMPQDJC-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.43
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione

3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione (PubChem CID 110580280) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
PubChem CID110580280
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(C)cc2C)C(=O)N(c2cc(C)ccc2OC)C1=O)c1ccccc1
InChIInChI=1S/C28H28N2O3/c1-6-29(21-10-8-7-9-11-21)26-25(22-14-12-18(2)16-20(22)4)27(31)30(28(26)32)23-17-19(3)13-15-24(23)33-5/h7-17H,6H2,1-5H3
InChIKeyJITDLVYKMPQDJC-UHFFFAOYSA-N
XLogP5.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110579665
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110567438
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110578118
1-(3-butoxypropyl)-3-(2,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110579077
3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110545737
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110557687
3-[benzyl(ethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579739
3-[benzyl(ethyl)amino]-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555175
3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561966
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576102
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione (CID 110580280) is 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(C)cc2C)C(=O)N(c2cc(C)ccc2OC)C1=O)c1ccccc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The InChIKey is JITDLVYKMPQDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-6-29(21-10-8-7-9-11-21)26-25(22-14-12-18(2)16-20(22)4)27(31)30(28(26)32)23-17-19(3)13-15-24(23)33-5/h7-17H,6H2,1-5H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione has a molecular weight of 440.54 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110580280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).