methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 112977644

IUPACmethyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H23NO4/c1-20(2,3)14-8-7-9-15(12-14)25-13-18(22)21-17-11-6-5-10-16(17)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyFXTYAIIEIFGFJP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.79
Rot. Bonds5

About methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate

methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate (PubChem CID 112977644) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
PubChem CID112977644
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H23NO4/c1-20(2,3)14-8-7-9-15(12-14)25-13-18(22)21-17-11-6-5-10-16(17)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyFXTYAIIEIFGFJP-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

2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 100758130
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
S-[2-[[2-(3-tert-butylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579704
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate (CID 112977644) is methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1cccc(C(C)(C)C)c1.
What is the InChIKey of methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
The InChIKey is FXTYAIIEIFGFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,3)14-8-7-9-15(12-14)25-13-18(22)21-17-11-6-5-10-16(17)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(3-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 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 112977644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).