ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate

C24H28N2O6 — CID 24562492

IUPACethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(O)COc2ccc(C(=O)OCC)cc2)C1=O
InChIInChI=1S/C24H28N2O6/c1-3-14-24(18-8-6-5-7-9-18)22(29)26(23(30)25-24)15-19(27)16-32-20-12-10-17(11-13-20)21(28)31-4-2/h5-13,19,27H,3-4,14-16H2,1-2H3,(H,25,30)
InChIKeyNFWULJNZKUVNQL-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.85
Rot. Bonds10

About ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate

ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate (PubChem CID 24562492) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
PubChem CID24562492
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Nameethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(O)COc2ccc(C(=O)OCC)cc2)C1=O
InChIInChI=1S/C24H28N2O6/c1-3-14-24(18-8-6-5-7-9-18)22(29)26(23(30)25-24)15-19(27)16-32-20-12-10-17(11-13-20)21(28)31-4-2/h5-13,19,27H,3-4,14-16H2,1-2H3,(H,25,30)
InChIKeyNFWULJNZKUVNQL-UHFFFAOYSA-N
XLogP2.85
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]benzoate
CID 26007482
3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 55410388
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 136574650
methyl 4-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 18125644
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
ethyl 4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzoate
CID 46664174
5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18275453
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
The IUPAC name of ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate (CID 24562492) is ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate.
What is the SMILES notation for ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
The canonical SMILES for ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate is CCCC1(c2ccccc2)NC(=O)N(CC(O)COc2ccc(C(=O)OCC)cc2)C1=O.
What is the InChIKey of ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
The InChIKey is NFWULJNZKUVNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-14-24(18-8-6-5-7-9-18)22(29)26(23(30)25-24)15-19(27)16-32-20-12-10-17(11-13-20)21(28)31-4-2/h5-13,19,27H,3-4,14-16H2,1-2H3,(H,25,30).
What are the key properties of ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate has a molecular weight of 440.50 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate is sourced from PubChem (CID 24562492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).