3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione

C17H20N2O4 — CID 122190155

IUPAC3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-17(13-5-3-2-4-6-13)11-14(20)19(16(17)22)12-15(21)18-7-9-23-10-8-18/h2-6H,7-12H2,1H3
InChIKeyKXGRKRYVGSVSLA-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.56
Rot. Bonds3

About 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione

3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 122190155) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID122190155
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-17(13-5-3-2-4-6-13)11-14(20)19(16(17)22)12-15(21)18-7-9-23-10-8-18/h2-6H,7-12H2,1H3
InChIKeyKXGRKRYVGSVSLA-UHFFFAOYSA-N
XLogP0.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione (CID 122190155) is 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is KXGRKRYVGSVSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(13-5-3-2-4-6-13)11-14(20)19(16(17)22)12-15(21)18-7-9-23-10-8-18/h2-6H,7-12H2,1H3.
What are the key properties of 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione?
3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 122190155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).