3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

C26H30N2O5 — CID 110567363

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(c2ccccc2OC(C)C)C1=O
InChIInChI=1S/C26H30N2O5/c1-16(2)32-22-13-9-7-11-20(22)28-25(29)23(19-10-6-8-12-21(19)31-5)24(26(28)30)27-14-17(3)33-18(4)15-27/h6-13,16-18H,14-15H2,1-5H3
InChIKeyXIHFSGVZZPDPTE-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.88
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110567363) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110567363
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(c2ccccc2OC(C)C)C1=O
InChIInChI=1S/C26H30N2O5/c1-16(2)32-22-13-9-7-11-20(22)28-25(29)23(19-10-6-8-12-21(19)31-5)24(26(28)30)27-14-17(3)33-18(4)15-27/h6-13,16-18H,14-15H2,1-5H3
InChIKeyXIHFSGVZZPDPTE-UHFFFAOYSA-N
XLogP3.88
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.88
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-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110567672
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
3-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575824
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291
3-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110567304
1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565347
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575860
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110567665
1-(2-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110550469
3-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110550423
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110567363) is 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(c2ccccc2OC(C)C)C1=O.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is XIHFSGVZZPDPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-16(2)32-22-13-9-7-11-20(22)28-25(29)23(19-10-6-8-12-21(19)31-5)24(26(28)30)27-14-17(3)33-18(4)15-27/h6-13,16-18H,14-15H2,1-5H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 450.54 g/mol, XLogP of 3.88, 6 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-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).