3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione

C16H18N2O4 — CID 110556352

IUPAC3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCOCC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H18N2O4/c1-17-15(19)13(11-3-5-12(21-2)6-4-11)14(16(17)20)18-7-9-22-10-8-18/h3-6H,7-10H2,1-2H3
InChIKeyLFQGKPLWDCTXKE-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.74
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione

3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110556352) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110556352
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCOCC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H18N2O4/c1-17-15(19)13(11-3-5-12(21-2)6-4-11)14(16(17)20)18-7-9-22-10-8-18/h3-6H,7-10H2,1-2H3
InChIKeyLFQGKPLWDCTXKE-UHFFFAOYSA-N
XLogP0.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110556345
1-methyl-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575237
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
CID 110556960
3-(4-methoxyphenyl)-1-(2-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558108
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558141
1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544926
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110572721
3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione
CID 110556267
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556405
3-chloro-4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110583194

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 110556352) is 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCOCC3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is LFQGKPLWDCTXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17-15(19)13(11-3-5-12(21-2)6-4-11)14(16(17)20)18-7-9-22-10-8-18/h3-6H,7-10H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 302.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110556352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).