3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione

C27H32N2O4 — CID 110577820

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccc(C)cc3C)=C(N3CC(C)OC(C)C3)C2=O)c1
InChIInChI=1S/C27H32N2O4/c1-6-12-32-22-9-7-8-21(14-22)29-26(30)24(23-11-10-17(2)13-18(23)3)25(27(29)31)28-15-19(4)33-20(5)16-28/h7-11,13-14,19-20H,6,12,15-16H2,1-5H3
InChIKeyUPIFPKNBQRPMQO-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.49
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110577820) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110577820
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccc(C)cc3C)=C(N3CC(C)OC(C)C3)C2=O)c1
InChIInChI=1S/C27H32N2O4/c1-6-12-32-22-9-7-8-21(14-22)29-26(30)24(23-11-10-17(2)13-18(23)3)25(27(29)31)28-15-19(4)33-20(5)16-28/h7-11,13-14,19-20H,6,12,15-16H2,1-5H3
InChIKeyUPIFPKNBQRPMQO-UHFFFAOYSA-N
XLogP4.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.49
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-(2,4-dimethylphenyl)-1-(3-ethoxyphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110577905
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110580328
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110580475
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110579485
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579604
3-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551810
3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110577824
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methoxyphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110555605
3-(3,5-dimethylpiperidin-1-yl)-1-(3-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571638
3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565180
3-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573721
3-(3,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110548167

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione (CID 110577820) is 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione is CCCOc1cccc(N2C(=O)C(c3ccc(C)cc3C)=C(N3CC(C)OC(C)C3)C2=O)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is UPIFPKNBQRPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-6-12-32-22-9-7-8-21(14-22)29-26(30)24(23-11-10-17(2)13-18(23)3)25(27(29)31)28-15-19(4)33-20(5)16-28/h7-11,13-14,19-20H,6,12,15-16H2,1-5H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 448.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110577820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).