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

C17H22N2O5 — CID 3050267

IUPAC3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(C2CC(=O)N(CN3CCOCC3)C2=O)c1
InChIInChI=1S/C17H22N2O5/c1-22-13-7-12(8-14(9-13)23-2)15-10-16(20)19(17(15)21)11-18-3-5-24-6-4-18/h7-9,15H,3-6,10-11H2,1-2H3
InChIKeyUBZQQTRRQCIACG-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.84
Rot. Bonds5

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

3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 3050267) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
PubChem CID3050267
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(C2CC(=O)N(CN3CCOCC3)C2=O)c1
InChIInChI=1S/C17H22N2O5/c1-22-13-7-12(8-14(9-13)23-2)15-10-16(20)19(17(15)21)11-18-3-5-24-6-4-18/h7-9,15H,3-6,10-11H2,1-2H3
InChIKeyUBZQQTRRQCIACG-UHFFFAOYSA-N
XLogP0.84
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)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 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione (CID 3050267) is 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione is COc1cc(OC)cc(C2CC(=O)N(CN3CCOCC3)C2=O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is UBZQQTRRQCIACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-13-7-12(8-14(9-13)23-2)15-10-16(20)19(17(15)21)11-18-3-5-24-6-4-18/h7-9,15H,3-6,10-11H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione?
3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 334.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3050267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).