3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione

C22H24N2O3 — CID 110587799

IUPAC3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3ccc(CC)cc3)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-4-15-7-11-17(12-8-15)23-20-19(21(25)24(5-2)22(20)26)16-9-13-18(14-10-16)27-6-3/h7-14,23H,4-6H2,1-3H3
InChIKeyFZLBZCFVCJNGJJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.86
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione

3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione (PubChem CID 110587799) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione
PubChem CID110587799
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3ccc(CC)cc3)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-4-15-7-11-17(12-8-15)23-20-19(21(25)24(5-2)22(20)26)16-9-13-18(14-10-16)27-6-3/h7-14,23H,4-6H2,1-3H3
InChIKeyFZLBZCFVCJNGJJ-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110588013
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110588217
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110587653
3-(4-ethoxyphenyl)-1-ethyl-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110587783
3-(4-ethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588014
3-(4-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110587906
1-[(4-chlorophenyl)methyl]-3-(4-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594259
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110588113
3-(4-ethoxyanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592570
3-(4-ethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600475
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110588010
3-(3-ethoxyanilino)-1-ethyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590046

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione (CID 110587799) is 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione is CCOc1ccc(C2=C(Nc3ccc(CC)cc3)C(=O)N(CC)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione?
The InChIKey is FZLBZCFVCJNGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-15-7-11-17(12-8-15)23-20-19(21(25)24(5-2)22(20)26)16-9-13-18(14-10-16)27-6-3/h7-14,23H,4-6H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione?
3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione has a molecular weight of 364.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-ethyl-4-(4-ethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110587799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).