1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione

C20H22N2O5 — CID 22332764

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(NC2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C20H22N2O5/c1-4-27-14-7-5-13(6-8-14)21-16-12-19(23)22(20(16)24)17-10-9-15(25-2)11-18(17)26-3/h5-11,16,21H,4,12H2,1-3H3
InChIKeyLOXIPSCZTFWZGT-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.85
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione

1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (PubChem CID 22332764) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
PubChem CID22332764
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(NC2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C20H22N2O5/c1-4-27-14-7-5-13(6-8-14)21-16-12-19(23)22(20(16)24)17-10-9-15(25-2)11-18(17)26-3/h5-11,16,21H,4,12H2,1-3H3
InChIKeyLOXIPSCZTFWZGT-UHFFFAOYSA-N
XLogP2.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 43844652
(3S)-3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 51860153
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
CID 51660732
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163
(3R)-3-(2-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235235
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (CID 22332764) is 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is CCOc1ccc(NC2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is LOXIPSCZTFWZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-4-27-14-7-5-13(6-8-14)21-16-12-19(23)22(20(16)24)17-10-9-15(25-2)11-18(17)26-3/h5-11,16,21H,4,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 370.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 22332764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).