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

C22H22N2O3 — CID 110556828

IUPAC3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OC)cc2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C22H22N2O3/c1-4-15-24-21(25)19(16-11-13-18(27-3)14-12-16)20(22(24)26)23(5-2)17-9-7-6-8-10-17/h4,6-14H,1,5,15H2,2-3H3
InChIKeyCIYWBPRDRPNTLK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.49
Rot. Bonds7

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

3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110556828) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110556828
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OC)cc2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C22H22N2O3/c1-4-15-24-21(25)19(16-11-13-18(27-3)14-12-16)20(22(24)26)23(5-2)17-9-7-6-8-10-17/h4,6-14H,1,5,15H2,2-3H3
InChIKeyCIYWBPRDRPNTLK-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
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-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560065
3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110575592
3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110551560
1-(2,5-difluorophenyl)-3-(N-ethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558253
3-(N-ethylanilino)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542146
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110557687
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110558061
3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556824
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572740
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110569981
3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574909
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551433

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110556828) is 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(OC)cc2)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is CIYWBPRDRPNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-15-24-21(25)19(16-11-13-18(27-3)14-12-16)20(22(24)26)23(5-2)17-9-7-6-8-10-17/h4,6-14H,1,5,15H2,2-3H3.
What are the key properties of 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 362.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110556828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).