1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione

C22H26N2O4 — CID 2972670

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(NC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-4-15-5-8-17(9-6-15)23-18-14-21(25)24(22(18)26)12-11-16-7-10-19(27-2)20(13-16)28-3/h5-10,13,18,23H,4,11-12,14H2,1-3H3
InChIKeyIORXJRSIJHADJJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.05
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 2972670) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione
PubChem CID2972670
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(NC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-4-15-5-8-17(9-6-15)23-18-14-21(25)24(22(18)26)12-11-16-7-10-19(27-2)20(13-16)28-3/h5-10,13,18,23H,4,11-12,14H2,1-3H3
InChIKeyIORXJRSIJHADJJ-UHFFFAOYSA-N
XLogP3.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione (CID 2972670) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione is CCc1ccc(NC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is IORXJRSIJHADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-15-5-8-17(9-6-15)23-18-14-21(25)24(22(18)26)12-11-16-7-10-19(27-2)20(13-16)28-3/h5-10,13,18,23H,4,11-12,14H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione has a molecular weight of 382.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2972670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).