ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate

C21H22N2O5 — CID 3718250

IUPACethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CC(Nc3ccc(CCO)cc3)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-2-28-21(27)15-5-9-17(10-6-15)23-19(25)13-18(20(23)26)22-16-7-3-14(4-8-16)11-12-24/h3-10,18,22,24H,2,11-13H2,1H3
InChIKeyBCPVIWZELOVZMH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.14
Rot. Bonds7

About ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate

ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate (PubChem CID 3718250) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate
PubChem CID3718250
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CC(Nc3ccc(CCO)cc3)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-2-28-21(27)15-5-9-17(10-6-15)23-19(25)13-18(20(23)26)22-16-7-3-14(4-8-16)11-12-24/h3-10,18,22,24H,2,11-13H2,1H3
InChIKeyBCPVIWZELOVZMH-UHFFFAOYSA-N
XLogP2.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate (CID 3718250) is ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2C(=O)CC(Nc3ccc(CCO)cc3)C2=O)cc1.
What is the InChIKey of ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The InChIKey is BCPVIWZELOVZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-28-21(27)15-5-9-17(10-6-15)23-19(25)13-18(20(23)26)22-16-7-3-14(4-8-16)11-12-24/h3-10,18,22,24H,2,11-13H2,1H3.
What are the key properties of ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate?
ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate has a molecular weight of 382.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[4-(2-hydroxyethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 3718250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).