2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione

C20H18N2O4 — CID 54215076

IUPAC2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18N2O4/c23-18(13-22-19(24)16-3-1-2-4-17(16)20(22)25)14-5-7-15(8-6-14)21-9-11-26-12-10-21/h1-8H,9-13H2
InChIKeyPYPJJZKONNZLKQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.00
Rot. Bonds4

About 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 54215076) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID54215076
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18N2O4/c23-18(13-22-19(24)16-3-1-2-4-17(16)20(22)25)14-5-7-15(8-6-14)21-9-11-26-12-10-21/h1-8H,9-13H2
InChIKeyPYPJJZKONNZLKQ-UHFFFAOYSA-N
XLogP2.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.00
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 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione (CID 54215076) is 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is PYPJJZKONNZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(13-22-19(24)16-3-1-2-4-17(16)20(22)25)14-5-7-15(8-6-14)21-9-11-26-12-10-21/h1-8H,9-13H2.
What are the key properties of 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 350.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 54215076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).