1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione

C19H18N2O3 — CID 24768118

IUPAC1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3
InChIKeyXAQNYALTFTXDFC-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.91
Rot. Bonds5

About 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione

1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 24768118) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
PubChem CID24768118
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3
InChIKeyXAQNYALTFTXDFC-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione (CID 24768118) is 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione is CCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is XAQNYALTFTXDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 24768118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).