3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C22H22N2O4 — CID 110566864

IUPAC3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-27-16-11-9-15(10-12-16)24-21(25)19(17-7-3-4-8-18(17)28-2)20(22(24)26)23-13-5-6-14-23/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyGODAFAFULHAMJQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.08
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110566864) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110566864
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-27-16-11-9-15(10-12-16)24-21(25)19(17-7-3-4-8-18(17)28-2)20(22(24)26)23-13-5-6-14-23/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyGODAFAFULHAMJQ-UHFFFAOYSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566974
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1-(2-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110567665
3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565180
3-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110567304
3-(4-ethylpiperazin-1-yl)-4-(2-methoxyphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110567310
1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565949
3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566677
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110567613
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567152

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110566864) is 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is GODAFAFULHAMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-16-11-9-15(10-12-16)24-21(25)19(17-7-3-4-8-18(17)28-2)20(22(24)26)23-13-5-6-14-23/h3-4,7-12H,5-6,13-14H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110566864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).