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

C24H26N2O4 — CID 110567672

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C24H26N2O4/c1-15-9-5-7-11-19(15)26-23(27)21(18-10-6-8-12-20(18)29-4)22(24(26)28)25-13-16(2)30-17(3)14-25/h5-12,16-17H,13-14H2,1-4H3
InChIKeyATIXHONYGGWAPQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.40
Rot. Bonds4

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

3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 110567672) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID110567672
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C24H26N2O4/c1-15-9-5-7-11-19(15)26-23(27)21(18-10-6-8-12-20(18)29-4)22(24(26)28)25-13-16(2)30-17(3)14-25/h5-12,16-17H,13-14H2,1-4H3
InChIKeyATIXHONYGGWAPQ-UHFFFAOYSA-N
XLogP3.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione (CID 110567672) is 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ATIXHONYGGWAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15-9-5-7-11-19(15)26-23(27)21(18-10-6-8-12-20(18)29-4)22(24(26)28)25-13-16(2)30-17(3)14-25/h5-12,16-17H,13-14H2,1-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 406.48 g/mol, XLogP of 3.40, 4 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-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).