1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione

C19H20N2O2 — CID 19163695

IUPAC1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(Nc2ccc(C)cc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-3-14-6-4-5-7-17(14)21-18(22)12-16(19(21)23)20-15-10-8-13(2)9-11-15/h4-11,16,20H,3,12H2,1-2H3
InChIKeyAHEBHLGYDMEWED-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.30
Rot. Bonds4

About 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione

1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 19163695) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
PubChem CID19163695
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(Nc2ccc(C)cc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-3-14-6-4-5-7-17(14)21-18(22)12-16(19(21)23)20-15-10-8-13(2)9-11-15/h4-11,16,20H,3,12H2,1-2H3
InChIKeyAHEBHLGYDMEWED-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione (CID 19163695) is 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione is CCc1ccccc1N1C(=O)CC(Nc2ccc(C)cc2)C1=O.
What is the InChIKey of 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is AHEBHLGYDMEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-14-6-4-5-7-17(14)21-18(22)12-16(19(21)23)20-15-10-8-13(2)9-11-15/h4-11,16,20H,3,12H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 19163695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).