1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

C20H20N2O2 — CID 110572451

IUPAC1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-4-22-19(23)17(15-12-10-14(2)11-13-15)18(20(22)24)21(3)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKeyOWOGNNUZFMOVTE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.23
Rot. Bonds4

About 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110572451) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110572451
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-4-22-19(23)17(15-12-10-14(2)11-13-15)18(20(22)24)21(3)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKeyOWOGNNUZFMOVTE-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-methylanilino)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572586
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
3-[benzyl(ethyl)amino]-1-ethyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572443
3-(N-methylanilino)-1-octyl-4-phenylpyrrole-2,5-dione
CID 110560237
3-(4-chlorophenyl)-1-hexyl-4-(N-methylanilino)pyrrole-2,5-dione
CID 110570082
3-(3,4-dimethoxyphenyl)-4-(N-methylanilino)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110563883
1-benzyl-3-(3,4-dimethylphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110548758
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110546523
3-(3,4-dimethylphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110548794

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110572451) is 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is CCN1C(=O)C(c2ccc(C)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is OWOGNNUZFMOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-22-19(23)17(15-12-10-14(2)11-13-15)18(20(22)24)21(3)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 320.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110572451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).