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

C27H32N2O4 — CID 110550469

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(c2ccc(C)c(C)c2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C27H32N2O4/c1-6-13-32-23-10-8-7-9-22(23)29-26(30)24(21-12-11-17(2)18(3)14-21)25(27(29)31)28-15-19(4)33-20(5)16-28/h7-12,14,19-20H,6,13,15-16H2,1-5H3
InChIKeyKXGCCHWJQUPNCB-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.49
Rot. Bonds6

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

3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110550469) 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-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110550469
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(c2ccc(C)c(C)c2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C27H32N2O4/c1-6-13-32-23-10-8-7-9-22(23)29-26(30)24(21-12-11-17(2)18(3)14-21)25(27(29)31)28-15-19(4)33-20(5)16-28/h7-12,14,19-20H,6,13,15-16H2,1-5H3
InChIKeyKXGCCHWJQUPNCB-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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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione (CID 110550469) is 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccccc1N1C(=O)C(c2ccc(C)c(C)c2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is KXGCCHWJQUPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-6-13-32-23-10-8-7-9-22(23)29-26(30)24(21-12-11-17(2)18(3)14-21)25(27(29)31)28-15-19(4)33-20(5)16-28/h7-12,14,19-20H,6,13,15-16H2,1-5H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-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-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110550469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).