1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C26H30N2O3 — CID 110579907

IUPAC1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C26H30N2O3/c1-17-6-11-21(18(2)16-17)22-23(27-12-14-31-15-13-27)25(30)28(24(22)29)20-9-7-19(8-10-20)26(3,4)5/h6-11,16H,12-15H2,1-5H3
InChIKeyCEOILZSKJGUKLF-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.22
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110579907) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110579907
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C26H30N2O3/c1-17-6-11-21(18(2)16-17)22-23(27-12-14-31-15-13-27)25(30)28(24(22)29)20-9-7-19(8-10-20)26(3,4)5/h6-11,16H,12-15H2,1-5H3
InChIKeyCEOILZSKJGUKLF-UHFFFAOYSA-N
XLogP4.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110579903
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110580612
3-(2,4-dimethylphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580127
1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110579916
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110580567
3-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580126
1-(3-chloro-4-methylphenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580203
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110580475
3-(2,4-dimethylphenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579448
1-(3,4-difluorophenyl)-3-(2,4-dimethylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580440
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579648
3-(2,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110580322

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110579907) is 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is Cc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is CEOILZSKJGUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-17-6-11-21(18(2)16-17)22-23(27-12-14-31-15-13-27)25(30)28(24(22)29)20-9-7-19(8-10-20)26(3,4)5/h6-11,16H,12-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 418.54 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110579907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).