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

C18H24N2O6 — CID 42942558

IUPACethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
SMILESCCCC1NC(=O)N(CC(O)COc2cccc(C(=O)OCC)c2)C1=O
InChIInChI=1S/C18H24N2O6/c1-3-6-15-16(22)20(18(24)19-15)10-13(21)11-26-14-8-5-7-12(9-14)17(23)25-4-2/h5,7-9,13,15,21H,3-4,6,10-11H2,1-2H3,(H,19,24)
InChIKeyGVCOAEXMUONRCM-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.32
Rot. Bonds9

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

ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate (PubChem CID 42942558) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
PubChem CID42942558
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Nameethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
SMILESCCCC1NC(=O)N(CC(O)COc2cccc(C(=O)OCC)c2)C1=O
InChIInChI=1S/C18H24N2O6/c1-3-6-15-16(22)20(18(24)19-15)10-13(21)11-26-14-8-5-7-12(9-14)17(23)25-4-2/h5,7-9,13,15,21H,3-4,6,10-11H2,1-2H3,(H,19,24)
InChIKeyGVCOAEXMUONRCM-UHFFFAOYSA-N
XLogP1.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.32
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 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
ethyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate
CID 86977623
ethyl 3-[2-hydroxy-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propoxy]benzoate
CID 87014382
3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
CID 42942556
(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570523
(5R)-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570526
ethyl 3-[(2R)-3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 32525166
ethyl 3-[(2R)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 124733137
ethyl 4-[(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]benzoate
CID 26007482
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51222984
ethyl 3-but-2-enoxybenzoate
CID 57207462

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
The IUPAC name of ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate (CID 42942558) is ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate.
What is the SMILES notation for ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
The canonical SMILES for ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate is CCCC1NC(=O)N(CC(O)COc2cccc(C(=O)OCC)c2)C1=O.
What is the InChIKey of ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
The InChIKey is GVCOAEXMUONRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-3-6-15-16(22)20(18(24)19-15)10-13(21)11-26-14-8-5-7-12(9-14)17(23)25-4-2/h5,7-9,13,15,21H,3-4,6,10-11H2,1-2H3,(H,19,24).
What are the key properties of ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate?
ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate has a molecular weight of 364.40 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate is sourced from PubChem (CID 42942558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).