3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

C21H20N2O3 — CID 110588017

IUPAC3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OCC)cc2)C1=O
InChIInChI=1S/C21H20N2O3/c1-3-14-23-20(24)18(15-10-12-17(13-11-15)26-4-2)19(21(23)25)22-16-8-6-5-7-9-16/h3,5-13,22H,1,4,14H2,2H3
InChIKeyFBNIXEXKCIXZHC-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.46
Rot. Bonds7

About 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110588017) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110588017
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OCC)cc2)C1=O
InChIInChI=1S/C21H20N2O3/c1-3-14-23-20(24)18(15-10-12-17(13-11-15)26-4-2)19(21(23)25)22-16-8-6-5-7-9-16/h3,5-13,22H,1,4,14H2,2H3
InChIKeyFBNIXEXKCIXZHC-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588014
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110588010
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110588013
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588012
3-anilino-4-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110597110
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110597088
3-[4-(diethylamino)anilino]-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110594804
1-[(4-chlorophenyl)methyl]-3-(4-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594259
3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione
CID 110587799
3-anilino-4-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110588436
3-(3,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110590180
3-(3,4-dimethylphenyl)-4-(2-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110589122

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110588017) is 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(Nc2ccccc2)=C(c2ccc(OCC)cc2)C1=O.
What is the InChIKey of 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is FBNIXEXKCIXZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-14-23-20(24)18(15-10-12-17(13-11-15)26-4-2)19(21(23)25)22-16-8-6-5-7-9-16/h3,5-13,22H,1,4,14H2,2H3.
What are the key properties of 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 348.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110588017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).