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

C22H25NO6 — CID 7855555

IUPACmethyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H25NO6/c1-22(2,3)16-7-11-18(12-8-16)28-14-20(25)29-13-19(24)23-17-9-5-15(6-10-17)21(26)27-4/h5-12H,13-14H2,1-4H3,(H,23,24)
InChIKeySBRQHXRQSFCUJE-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.33
Rot. Bonds7

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

methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7855555) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID7855555
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Namemethyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H25NO6/c1-22(2,3)16-7-11-18(12-8-16)28-14-20(25)29-13-19(24)23-17-9-5-15(6-10-17)21(26)27-4/h5-12H,13-14H2,1-4H3,(H,23,24)
InChIKeySBRQHXRQSFCUJE-UHFFFAOYSA-N
XLogP3.33
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7605031
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate (CID 7855555) is methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is SBRQHXRQSFCUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-22(2,3)16-7-11-18(12-8-16)28-14-20(25)29-13-19(24)23-17-9-5-15(6-10-17)21(26)27-4/h5-12H,13-14H2,1-4H3,(H,23,24).
What are the key properties of methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 399.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7855555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).