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

C26H24N2O3 — CID 110567438

IUPAC3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2OC)C(=O)N(c2ccc(C)cc2)C1=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-4-27(19-10-6-5-7-11-19)24-23(21-12-8-9-13-22(21)31-3)25(29)28(26(24)30)20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3
InChIKeySFDBYZUAEYUPGJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.81
Rot. Bonds6

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

3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110567438) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110567438
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2OC)C(=O)N(c2ccc(C)cc2)C1=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-4-27(19-10-6-5-7-11-19)24-23(21-12-8-9-13-22(21)31-3)25(29)28(26(24)30)20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3
InChIKeySFDBYZUAEYUPGJ-UHFFFAOYSA-N
XLogP4.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.81
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-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110580280
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
1-cycloheptyl-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566081
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110579665
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344
3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566335
1-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110567390
3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566951
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110558061
3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566263

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (CID 110567438) is 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccccc2OC)C(=O)N(c2ccc(C)cc2)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is SFDBYZUAEYUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-27(19-10-6-5-7-11-19)24-23(21-12-8-9-13-22(21)31-3)25(29)28(26(24)30)20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).