[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

C17H24ClNO4 — CID 2576888

IUPAC[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCCC[C@H](C)NC(=O)COC(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H24ClNO4/c1-5-6-13(4)19-15(20)9-22-16(21)10-23-17-11(2)7-14(18)8-12(17)3/h7-8,13H,5-6,9-10H2,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyBRYMLBGLFQYSTC-ZDUSSCGKSA-N
MW341.84 g/mol
LogP3.18
Rot. Bonds8

About [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (PubChem CID 2576888) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
PubChem CID2576888
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCCC[C@H](C)NC(=O)COC(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H24ClNO4/c1-5-6-13(4)19-15(20)9-22-16(21)10-23-17-11(2)7-14(18)8-12(17)3/h7-8,13H,5-6,9-10H2,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyBRYMLBGLFQYSTC-ZDUSSCGKSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 7999915
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7519916
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 16539444
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631644
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 42899513

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (CID 2576888) is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is CCC[C@H](C)NC(=O)COC(=O)COc1c(C)cc(Cl)cc1C.
What is the InChIKey of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The InChIKey is BRYMLBGLFQYSTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-5-6-13(4)19-15(20)9-22-16(21)10-23-17-11(2)7-14(18)8-12(17)3/h7-8,13H,5-6,9-10H2,1-4H3,(H,19,20)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate has a molecular weight of 341.84 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 2576888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).