N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C24H25N3O4 — CID 110563365

IUPACN-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCc1ccc(N2C(=O)C(c3ccc(NC(C)=O)cc3)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-3-17-4-10-20(11-5-17)27-23(29)21(18-6-8-19(9-7-18)25-16(2)28)22(24(27)30)26-12-14-31-15-13-26/h4-11H,3,12-15H2,1-2H3,(H,25,28)
InChIKeyCXUXAGARLKFHCL-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.82
Rot. Bonds5

About N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110563365) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110563365
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCc1ccc(N2C(=O)C(c3ccc(NC(C)=O)cc3)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-3-17-4-10-20(11-5-17)27-23(29)21(18-6-8-19(9-7-18)25-16(2)28)22(24(27)30)26-12-14-31-15-13-26/h4-11H,3,12-15H2,1-2H3,(H,25,28)
InChIKeyCXUXAGARLKFHCL-UHFFFAOYSA-N
XLogP2.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
N-[4-[1-(2-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563681
N-[4-[3-(2-methoxyphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110567287
1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573750
N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562792
1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110573681
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
N-[4-[4-(3,5-dimethylanilino)-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596681
N-[4-[1-(3,5-dimethylphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110563209
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570639
3-(4-methylphenyl)-4-morpholin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110571547
N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563659

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110563365) is N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CCc1ccc(N2C(=O)C(c3ccc(NC(C)=O)cc3)=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is CXUXAGARLKFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-17-4-10-20(11-5-17)27-23(29)21(18-6-8-19(9-7-18)25-16(2)28)22(24(27)30)26-12-14-31-15-13-26/h4-11H,3,12-15H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).