N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C25H24N4O4 — CID 110563659

IUPACN-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1
InChIInChI=1S/C25H24N4O4/c1-15-13-28(14-16(2)33-15)23-22(19-6-8-20(9-7-19)27-17(3)30)24(31)29(25(23)32)21-10-4-18(12-26)5-11-21/h4-11,15-16H,13-14H2,1-3H3,(H,27,30)
InChIKeyVDEGNOOLZRBHCD-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.91
Rot. Bonds4

About N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110563659) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110563659
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1
InChIInChI=1S/C25H24N4O4/c1-15-13-28(14-16(2)33-15)23-22(19-6-8-20(9-7-19)27-17(3)30)24(31)29(25(23)32)21-10-4-18(12-26)5-11-21/h4-11,15-16H,13-14H2,1-3H3,(H,27,30)
InChIKeyVDEGNOOLZRBHCD-UHFFFAOYSA-N
XLogP2.91
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-cyclooctyl-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562847
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562731
1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574026
3-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573721
N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563365
4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzonitrile
CID 110577686
N-[4-[4-benzylsulfanyl-1-(4-cyanophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563673
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxo-1-(pyridin-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562441
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575860
4-[3-(4-methylpiperidin-1-yl)-4-(4-nitrophenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110542694

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110563659) is N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is VDEGNOOLZRBHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-15-13-28(14-16(2)33-15)23-22(19-6-8-20(9-7-19)27-17(3)30)24(31)29(25(23)32)21-10-4-18(12-26)5-11-21/h4-11,15-16H,13-14H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).