3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

C22H22N2O4 — CID 110597870

IUPAC3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccccc2OC)C1=O
InChIInChI=1S/C22H22N2O4/c1-4-14-24-21(25)19(15-10-6-8-12-17(15)27-3)20(22(24)26)23-16-11-7-9-13-18(16)28-5-2/h4,6-13,23H,1,5,14H2,2-3H3
InChIKeyFPVLWVHFPYXELO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.47
Rot. Bonds8

About 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110597870) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110597870
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccccc2OC)C1=O
InChIInChI=1S/C22H22N2O4/c1-4-14-24-21(25)19(15-10-6-8-12-17(15)27-3)20(22(24)26)23-16-11-7-9-13-18(16)28-5-2/h4,6-13,23H,1,5,14H2,2-3H3
InChIKeyFPVLWVHFPYXELO-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethylphenyl)-4-(2-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110589122
3-(2-ethoxyanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597344
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314
3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594520
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588012
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110597088
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594949
3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586250
3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588017
3-anilino-4-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110597110
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110587849
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110597870) is 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccccc2OC)C1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is FPVLWVHFPYXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-14-24-21(25)19(15-10-6-8-12-17(15)27-3)20(22(24)26)23-16-11-7-9-13-18(16)28-5-2/h4,6-13,23H,1,5,14H2,2-3H3.
What are the key properties of 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110597870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).