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

C21H27N3O5 — CID 110562731

IUPACN-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C21H27N3O5/c1-13-11-23(12-14(2)29-13)19-18(20(26)24(21(19)27)9-10-28-4)16-5-7-17(8-6-16)22-15(3)25/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyWLFNBOGVEJHPSB-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.48
Rot. Bonds6

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

N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110562731) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110562731
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C21H27N3O5/c1-13-11-23(12-14(2)29-13)19-18(20(26)24(21(19)27)9-10-28-4)16-5-7-17(8-6-16)22-15(3)25/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyWLFNBOGVEJHPSB-UHFFFAOYSA-N
XLogP1.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.48
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

3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575276
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxo-1-(pyridin-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562441
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-1-octyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563130
N-[4-[1-cyclooctyl-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562847
N-[4-[4-[3-(hydroxymethyl)piperidin-1-yl]-2,5-dioxo-1-(2-propan-2-yloxyethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562777
N-[4-[4-(3-methylpiperidin-1-yl)-1-octyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563129
N-[4-[1-(4-cyanophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563659
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-pentylpyrrole-2,5-dione
CID 110543640
N-[4-[1-(2-methoxyethyl)-2,5-dioxo-4-(4-pyrrolidin-1-ylanilino)pyrrol-3-yl]phenyl]acetamide
CID 110596455
N-[4-[1-(3-ethoxypropyl)-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563090
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110562731) is N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is COCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is WLFNBOGVEJHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-13-11-23(12-14(2)29-13)19-18(20(26)24(21(19)27)9-10-28-4)16-5-7-17(8-6-16)22-15(3)25/h5-8,13-14H,9-12H2,1-4H3,(H,22,25).
What are the key properties of N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).