ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate

C21H25NO4 — CID 3274519

IUPACethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-5-25-20(24)15-6-10-17(11-7-15)22-19(23)14-26-18-12-8-16(9-13-18)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)
InChIKeyLMEGGPCADZARHY-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.18
Rot. Bonds6

About ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate

ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate (PubChem CID 3274519) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
PubChem CID3274519
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-5-25-20(24)15-6-10-17(11-7-15)22-19(23)14-26-18-12-8-16(9-13-18)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)
InChIKeyLMEGGPCADZARHY-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate (CID 3274519) is ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The InChIKey is LMEGGPCADZARHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-25-20(24)15-6-10-17(11-7-15)22-19(23)14-26-18-12-8-16(9-13-18)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23).
What are the key properties of ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 3274519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).