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

C20H23NO4 — CID 710358

IUPACmethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-7-11-17(12-8-15)25-13-18(22)21-16-9-5-14(6-10-16)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyYTKSTZIZLRARMG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.79
Rot. Bonds5

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

methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate (PubChem CID 710358) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
PubChem CID710358
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-7-11-17(12-8-15)25-13-18(22)21-16-9-5-14(6-10-16)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyYTKSTZIZLRARMG-UHFFFAOYSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
methyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 9082993
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate (CID 710358) is methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The InChIKey is YTKSTZIZLRARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,3)15-7-11-17(12-8-15)25-13-18(22)21-16-9-5-14(6-10-16)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 710358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).