3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione

C23H23NO7 — CID 54497717

IUPAC3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOCON1C(=O)C(=Cc2ccccc2)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H23NO7/c1-27-14-31-24-22(25)17(10-15-8-6-5-7-9-15)18(23(24)26)11-16-12-19(28-2)21(30-4)20(13-16)29-3/h5-13H,14H2,1-4H3
InChIKeyYAHHLBSDEIQTCQ-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.08
Rot. Bonds8

About 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione

3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 54497717) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID54497717
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Name3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOCON1C(=O)C(=Cc2ccccc2)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H23NO7/c1-27-14-31-24-22(25)17(10-15-8-6-5-7-9-15)18(23(24)26)11-16-12-19(28-2)21(30-4)20(13-16)29-3/h5-13H,14H2,1-4H3
InChIKeyYAHHLBSDEIQTCQ-UHFFFAOYSA-N
XLogP3.08
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]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-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione (CID 54497717) is 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione is COCON1C(=O)C(=Cc2ccccc2)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O.
What is the InChIKey of 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is YAHHLBSDEIQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7/c1-27-14-31-24-22(25)17(10-15-8-6-5-7-9-15)18(23(24)26)11-16-12-19(28-2)21(30-4)20(13-16)29-3/h5-13H,14H2,1-4H3.
What are the key properties of 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione?
3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 425.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1-(methoxymethoxy)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 54497717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).