3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione

C18H22N2O4 — CID 110546616

IUPAC3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCOCC3)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C18H22N2O4/c1-3-20-17(21)15(13-5-7-14(8-6-13)24-4-2)16(18(20)22)19-9-11-23-12-10-19/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGPEXWJKXNOZSFZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.52
Rot. Bonds5

About 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110546616) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110546616
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCOCC3)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C18H22N2O4/c1-3-20-17(21)15(13-5-7-14(8-6-13)24-4-2)16(18(20)22)19-9-11-23-12-10-19/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGPEXWJKXNOZSFZ-UHFFFAOYSA-N
XLogP1.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.52
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

1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416
3-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546953
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110551489
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
1-cycloheptyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546790
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-ethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110546623
1-[(4-chlorophenyl)methyl]-3-morpholin-4-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576392
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
CID 110556960
3-(4-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546322

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 110546616) is 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione is CCOc1ccc(C2=C(N3CCOCC3)C(=O)N(CC)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is GPEXWJKXNOZSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-20-17(21)15(13-5-7-14(8-6-13)24-4-2)16(18(20)22)19-9-11-23-12-10-19/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 330.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110546616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).