1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

C22H25NO4 — CID 3791075

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1OC
InChIInChI=1S/C22H25NO4/c1-14-7-15(2)9-17(8-14)10-18-12-21(24)23(22(18)25)13-16-5-6-19(26-3)20(11-16)27-4/h5-9,11,18H,10,12-13H2,1-4H3
InChIKeyGFSUPOWUZAIFKH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.44
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 3791075) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID3791075
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1OC
InChIInChI=1S/C22H25NO4/c1-14-7-15(2)9-17(8-14)10-18-12-21(24)23(22(18)25)13-16-5-6-19(26-3)20(11-16)27-4/h5-9,11,18H,10,12-13H2,1-4H3
InChIKeyGFSUPOWUZAIFKH-UHFFFAOYSA-N
XLogP3.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]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-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (CID 3791075) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(CN2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is GFSUPOWUZAIFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14-7-15(2)9-17(8-14)10-18-12-21(24)23(22(18)25)13-16-5-6-19(26-3)20(11-16)27-4/h5-9,11,18H,10,12-13H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 367.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3791075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).