2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate

C24H25NO7 — CID 110582468

IUPAC2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOCC)cc3)C2=O)cc1
InChIInChI=1S/C24H25NO7/c1-3-13-31-19-11-7-16(8-12-19)20-21(26)23(28)25(22(20)27)18-9-5-17(6-10-18)24(29)32-15-14-30-4-2/h5-12,26H,3-4,13-15H2,1-2H3
InChIKeyYDUXNXUVNKWPLA-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.51
Rot. Bonds10

About 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate

2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate (PubChem CID 110582468) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
PubChem CID110582468
Molecular FormulaC24H25NO7
Molecular Weight439.46 g/mol
Exact Mass439.16
IUPAC Name2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOCC)cc3)C2=O)cc1
InChIInChI=1S/C24H25NO7/c1-3-13-31-19-11-7-16(8-12-19)20-21(26)23(28)25(22(20)27)18-9-5-17(6-10-18)24(29)32-15-14-30-4-2/h5-12,26H,3-4,13-15H2,1-2H3
InChIKeyYDUXNXUVNKWPLA-UHFFFAOYSA-N
XLogP3.51
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
CID 110582457
2-ethoxyethyl 4-[3-hydroxy-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]benzoate
CID 110582070
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
1-(4-butylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582426
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582354
1-(4-ethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582293
3-(4-ethoxyphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583267
4-[3-(4-ethoxyphenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110583383
3-hydroxy-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582461

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate?
The IUPAC name of 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate (CID 110582468) is 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate.
What is the SMILES notation for 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate?
The canonical SMILES for 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate is CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOCC)cc3)C2=O)cc1.
What is the InChIKey of 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate?
The InChIKey is YDUXNXUVNKWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-3-13-31-19-11-7-16(8-12-19)20-21(26)23(28)25(22(20)27)18-9-5-17(6-10-18)24(29)32-15-14-30-4-2/h5-12,26H,3-4,13-15H2,1-2H3.
What are the key properties of 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate?
2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate has a molecular weight of 439.46 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate is sourced from PubChem (CID 110582468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).