ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate

C22H36ClN3O4Si — CID 141384913

IUPACethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCN(c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc2Cl)C1=O
InChIInChI=1S/C22H36ClN3O4Si/c1-8-29-20(27)16(2)25-12-13-26(21(25)28)19-10-9-17(15-18(19)23)24-11-14-30-31(6,7)22(3,4)5/h9-10,15-16,24H,8,11-14H2,1-7H3
InChIKeySZCKXRKMLJDZFY-UHFFFAOYSA-N
MW470.09 g/mol
LogP4.97
Rot. Bonds9

About ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate

ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate (PubChem CID 141384913) has the molecular formula C22H36ClN3O4Si and a molecular weight of 470.09 g/mol. Its IUPAC name is ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate
PubChem CID141384913
Molecular FormulaC22H36ClN3O4Si
Molecular Weight470.09 g/mol
Exact Mass469.22
IUPAC Nameethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCN(c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc2Cl)C1=O
InChIInChI=1S/C22H36ClN3O4Si/c1-8-29-20(27)16(2)25-12-13-26(21(25)28)19-10-9-17(15-18(19)23)24-11-14-30-31(6,7)22(3,4)5/h9-10,15-16,24H,8,11-14H2,1-7H3
InChIKeySZCKXRKMLJDZFY-UHFFFAOYSA-N
XLogP4.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.09
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloro-1-methylpyrimidin-1-ium-5-carbonyl)amino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate
CID 123243983
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N-[(2S)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 68659043
ethyl 2-[[2-[tert-butyl(dimethyl)silyl]oxyethylamino]methyl]-3-(2,4-difluoro-5-iodophenyl)-3-oxopropanoate;ethyl 3-(2,4-difluoro-5-iodophenyl)-2-[(2-hydroxyethylamino)methyl]-3-oxopropanoate
CID 158653623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate (CID 141384913) is ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate is CCOC(=O)C(C)N1CCN(c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc2Cl)C1=O.
What is the InChIKey of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate?
The InChIKey is SZCKXRKMLJDZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36ClN3O4Si/c1-8-29-20(27)16(2)25-12-13-26(21(25)28)19-10-9-17(15-18(19)23)24-11-14-30-31(6,7)22(3,4)5/h9-10,15-16,24H,8,11-14H2,1-7H3.
What are the key properties of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate?
ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate has a molecular weight of 470.09 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 141384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).