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

C22H27NO5 — CID 35270938

IUPACethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C22H27NO5/c1-6-27-21(25)16-9-7-8-10-18(16)23-20(24)14-28-19-12-11-15(26-5)13-17(19)22(2,3)4/h7-13H,6,14H2,1-5H3,(H,23,24)
InChIKeyFBZOHSMQGDBPSG-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.19
Rot. Bonds7

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

ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 35270938) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID35270938
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Nameethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C22H27NO5/c1-6-27-21(25)16-9-7-8-10-18(16)23-20(24)14-28-19-12-11-15(26-5)13-17(19)22(2,3)4/h7-13H,6,14H2,1-5H3,(H,23,24)
InChIKeyFBZOHSMQGDBPSG-UHFFFAOYSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270961
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate (CID 35270938) is ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1C(C)(C)C.
What is the InChIKey of ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is FBZOHSMQGDBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-6-27-21(25)16-9-7-8-10-18(16)23-20(24)14-28-19-12-11-15(26-5)13-17(19)22(2,3)4/h7-13H,6,14H2,1-5H3,(H,23,24).
What are the key properties of ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 385.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 35270938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).