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

C26H24N2O3 — CID 110557687

IUPAC3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC)cc2)C(=O)N(c2cccc(C)c2)C1=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-4-27(20-10-6-5-7-11-20)24-23(19-13-15-22(31-3)16-14-19)25(29)28(26(24)30)21-12-8-9-18(2)17-21/h5-17H,4H2,1-3H3
InChIKeyNAEGHBRSDJTECU-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.81
Rot. Bonds6

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

3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione (PubChem CID 110557687) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
PubChem CID110557687
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC)cc2)C(=O)N(c2cccc(C)c2)C1=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-4-27(20-10-6-5-7-11-20)24-23(19-13-15-22(31-3)16-14-19)25(29)28(26(24)30)21-12-8-9-18(2)17-21/h5-17H,4H2,1-3H3
InChIKeyNAEGHBRSDJTECU-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

1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110558061
3-(N-ethylanilino)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542146
3-(N-ethylanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544573
1-(3-ethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543002
1-(2,5-difluorophenyl)-3-(N-ethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558253
1-[3-(dimethylamino)phenyl]-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545904
3-(N-ethylanilino)-1-(3-fluorophenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551636
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110555615
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
1-(3-methoxyphenyl)-3-(N-methylanilino)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576319

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione (CID 110557687) is 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(OC)cc2)C(=O)N(c2cccc(C)c2)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
The InChIKey is NAEGHBRSDJTECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-27(20-10-6-5-7-11-20)24-23(19-13-15-22(31-3)16-14-19)25(29)28(26(24)30)21-12-8-9-18(2)17-21/h5-17H,4H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-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-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110557687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).