1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione

C17H22N2O4 — CID 2997772

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-22-14-4-2-13(3-5-14)6-7-19-16(20)12-15(17(19)21)18-8-10-23-11-9-18/h2-5,15H,6-12H2,1H3
InChIKeyQRTKTQKGVNZUCE-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.70
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione

1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2997772) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2997772
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-22-14-4-2-13(3-5-14)6-7-19-16(20)12-15(17(19)21)18-8-10-23-11-9-18/h2-5,15H,6-12H2,1H3
InChIKeyQRTKTQKGVNZUCE-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
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 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2997772) is 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione is COc1ccc(CCN2C(=O)CC(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is QRTKTQKGVNZUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-14-4-2-13(3-5-14)6-7-19-16(20)12-15(17(19)21)18-8-10-23-11-9-18/h2-5,15H,6-12H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 318.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2997772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).