1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione

C19H20N2O3 — CID 43844549

IUPAC1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(Nc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-13-7-9-15(10-8-13)21-18(22)12-17(19(21)23)20-14-5-4-6-16(11-14)24-2/h4-11,17,20H,3,12H2,1-2H3
InChIKeyRTNWYCJZTWPTSA-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione

1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 43844549) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID43844549
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(Nc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-13-7-9-15(10-8-13)21-18(22)12-17(19(21)23)20-14-5-4-6-16(11-14)24-2/h4-11,17,20H,3,12H2,1-2H3
InChIKeyRTNWYCJZTWPTSA-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.00
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

(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827237
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione (CID 43844549) is 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)CC(Nc3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is RTNWYCJZTWPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-13-7-9-15(10-8-13)21-18(22)12-17(19(21)23)20-14-5-4-6-16(11-14)24-2/h4-11,17,20H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).