1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

C17H20N2O4 — CID 110559521

IUPAC1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESCOCCN1C(=O)C(c2ccccc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-22-10-9-19-16(20)14(13-5-3-2-4-6-13)15(17(19)21)18-7-11-23-12-8-18/h2-6H,7-12H2,1H3
InChIKeyXTWZDJLDSVXRDL-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.75
Rot. Bonds5

About 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110559521) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
PubChem CID110559521
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESCOCCN1C(=O)C(c2ccccc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-22-10-9-19-16(20)14(13-5-3-2-4-6-13)15(17(19)21)18-7-11-23-12-8-18/h2-6H,7-12H2,1H3
InChIKeyXTWZDJLDSVXRDL-UHFFFAOYSA-N
XLogP0.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.75
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

3-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559523
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110572721
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560151
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556405
1-(2-methoxyethyl)-3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110572522
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110559143
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
CID 110556960
1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110560193
1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110558522

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (CID 110559521) is 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is COCCN1C(=O)C(c2ccccc2)=C(N2CCOCC2)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is XTWZDJLDSVXRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-10-9-19-16(20)14(13-5-3-2-4-6-13)15(17(19)21)18-7-11-23-12-8-18/h2-6H,7-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).