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

C25H28N2O3 — CID 110573750

IUPAC1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C25H28N2O3/c1-3-4-5-19-8-12-21(13-9-19)27-24(28)22(20-10-6-18(2)7-11-20)23(25(27)29)26-14-16-30-17-15-26/h6-13H,3-5,14-17H2,1-2H3
InChIKeyJHPAXFSFEDTXQI-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.95
Rot. Bonds6

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

1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110573750) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110573750
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C25H28N2O3/c1-3-4-5-19-8-12-21(13-9-19)27-24(28)22(20-10-6-18(2)7-11-20)23(25(27)29)26-14-16-30-17-15-26/h6-13H,3-5,14-17H2,1-2H3
InChIKeyJHPAXFSFEDTXQI-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.95
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

3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
1-(4-butylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547523
1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110573681
3-(4-methylphenyl)-4-morpholin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110571547
N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563365
1-(4-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545015
1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573310
3-morpholin-4-yl-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577483
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544608
1-(2,5-dimethylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573778
1-(4-butylphenyl)-3-(4-fluorophenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110545028
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110573750) is 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is CCCCc1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is JHPAXFSFEDTXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-4-5-19-8-12-21(13-9-19)27-24(28)22(20-10-6-18(2)7-11-20)23(25(27)29)26-14-16-30-17-15-26/h6-13H,3-5,14-17H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 404.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110573750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).