3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C22H30N2O5 — CID 110575276

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C22H30N2O5/c1-14(2)28-18-8-6-17(7-9-18)19-20(23-12-15(3)29-16(4)13-23)22(26)24(21(19)25)10-11-27-5/h6-9,14-16H,10-13H2,1-5H3
InChIKeyHAFSOWAGLORMGK-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.31
Rot. Bonds7

About 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110575276) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110575276
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C22H30N2O5/c1-14(2)28-18-8-6-17(7-9-18)19-20(23-12-15(3)29-16(4)13-23)22(26)24(21(19)25)10-11-27-5/h6-9,14-16H,10-13H2,1-5H3
InChIKeyHAFSOWAGLORMGK-UHFFFAOYSA-N
XLogP2.31
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575199
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575238
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562731
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575860
1-(3-butoxypropyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577119
1-(3-butoxypropyl)-3-(3-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575607
3-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575824
3-(4-ethoxyphenyl)-1-(2-methoxyethyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110546689
3-(3-methylpiperidin-1-yl)-1-octyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575669
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
3-(4-methylpiperazin-1-yl)-4-(4-propan-2-yloxyphenyl)-1-propylpyrrole-2,5-dione
CID 110575164
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574953

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110575276) is 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is COCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is HAFSOWAGLORMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-14(2)28-18-8-6-17(7-9-18)19-20(23-12-15(3)29-16(4)13-23)22(26)24(21(19)25)10-11-27-5/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 402.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110575276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).