3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

C23H31N3O4 — CID 110573107

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C23H31N3O4/c1-16-4-6-19(7-5-16)20-21(25-14-17(2)30-18(3)15-25)23(28)26(22(20)27)9-8-24-10-12-29-13-11-24/h4-7,17-18H,8-15H2,1-3H3
InChIKeyYUXWEHQROWZWLA-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.52
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (PubChem CID 110573107) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
PubChem CID110573107
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C23H31N3O4/c1-16-4-6-19(7-5-16)20-21(25-14-17(2)30-18(3)15-25)23(28)26(22(20)27)9-8-24-10-12-29-13-11-24/h4-7,17-18H,8-15H2,1-3H3
InChIKeyYUXWEHQROWZWLA-UHFFFAOYSA-N
XLogP1.52
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110544389
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541862
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560151
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110572721
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572130
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-pentylpyrrole-2,5-dione
CID 110543640
3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110544425
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572836
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577159
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543204

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (CID 110573107) is 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(CCN3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The InChIKey is YUXWEHQROWZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16-4-6-19(7-5-16)20-21(25-14-17(2)30-18(3)15-25)23(28)26(22(20)27)9-8-24-10-12-29-13-11-24/h4-7,17-18H,8-15H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione has a molecular weight of 413.52 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).