1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione

C19H26N2O3 — CID 71988919

IUPAC1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(C2CN(CCN3C(=O)CCC3=O)C(C)CO2)c1
InChIInChI=1S/C19H26N2O3/c1-13-4-5-14(2)16(10-13)17-11-20(15(3)12-24-17)8-9-21-18(22)6-7-19(21)23/h4-5,10,15,17H,6-9,11-12H2,1-3H3
InChIKeyFLOGBWIYGTXXAV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 71988919) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID71988919
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(C2CN(CCN3C(=O)CCC3=O)C(C)CO2)c1
InChIInChI=1S/C19H26N2O3/c1-13-4-5-14(2)16(10-13)17-11-20(15(3)12-24-17)8-9-21-18(22)6-7-19(21)23/h4-5,10,15,17H,6-9,11-12H2,1-3H3
InChIKeyFLOGBWIYGTXXAV-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.21
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 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione (CID 71988919) is 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione is Cc1ccc(C)c(C2CN(CCN3C(=O)CCC3=O)C(C)CO2)c1.
What is the InChIKey of 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is FLOGBWIYGTXXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-4-5-14(2)16(10-13)17-11-20(15(3)12-24-17)8-9-21-18(22)6-7-19(21)23/h4-5,10,15,17H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71988919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).