3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C23H31N3O4 — CID 110547159

IUPAC3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C23H31N3O4/c1-2-30-19-8-6-18(7-9-19)20-21(25-11-3-4-12-25)23(28)26(22(20)27)13-5-10-24-14-16-29-17-15-24/h6-9H,2-5,10-17H2,1H3
InChIKeyVCQLZARVDJBQMD-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.98
Rot. Bonds8

About 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110547159) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110547159
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C23H31N3O4/c1-2-30-19-8-6-18(7-9-19)20-21(25-11-3-4-12-25)23(28)26(22(20)27)13-5-10-24-14-16-29-17-15-24/h6-9H,2-5,10-17H2,1H3
InChIKeyVCQLZARVDJBQMD-UHFFFAOYSA-N
XLogP1.98
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-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

Related Compounds

3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547106
3-(4-ethoxyphenyl)-1-(3-methoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546843
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110547102
3-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110593177
3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110544425
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577159
1-(3-ethoxypropyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577134
3-chloro-1-(3-morpholin-4-ylpropyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584616
3-morpholin-4-yl-1-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541886
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
CID 110556960
3-(4-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-hexylpyrrole-2,5-dione
CID 110547019

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110547159) is 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is CCOc1ccc(C2=C(N3CCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is VCQLZARVDJBQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-2-30-19-8-6-18(7-9-19)20-21(25-11-3-4-12-25)23(28)26(22(20)27)13-5-10-24-14-16-29-17-15-24/h6-9H,2-5,10-17H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 413.52 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).