3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C17H22N2O4 — CID 2849727

IUPAC3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-9-23-14-5-3-13(4-6-14)19-16(20)12-15(17(19)21)18-7-10-22-11-8-18/h3-6,15H,2,7-12H2,1H3
InChIKeyZQTVPWAKQBPUDI-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.44
Rot. Bonds5

About 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2849727) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2849727
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-9-23-14-5-3-13(4-6-14)19-16(20)12-15(17(19)21)18-7-10-22-11-8-18/h3-6,15H,2,7-12H2,1H3
InChIKeyZQTVPWAKQBPUDI-UHFFFAOYSA-N
XLogP1.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 2849727) is 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is ZQTVPWAKQBPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-9-23-14-5-3-13(4-6-14)19-16(20)12-15(17(19)21)18-7-10-22-11-8-18/h3-6,15H,2,7-12H2,1H3.
What are the key properties of 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 318.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2849727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).