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

C19H19NO6 — CID 35779031

IUPACmethyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C)cc1
InChIInChI=1S/C19H19NO6/c1-13-7-9-14(10-8-13)25-12-18(22)26-11-17(21)20-16-6-4-3-5-15(16)19(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyIXXYVTJNVNWHTB-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.34
Rot. Bonds7

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

methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 35779031) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID35779031
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namemethyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C)cc1
InChIInChI=1S/C19H19NO6/c1-13-7-9-14(10-8-13)25-12-18(22)26-11-17(21)20-16-6-4-3-5-15(16)19(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyIXXYVTJNVNWHTB-UHFFFAOYSA-N
XLogP2.34
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
methyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 1344218
methyl 2-[[2-[2-[(4-methylphenyl)methylsulfanyl]acetyl]oxyacetyl]amino]benzoate
CID 7773484
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844686
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate (CID 35779031) is methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is IXXYVTJNVNWHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-13-7-9-14(10-8-13)25-12-18(22)26-11-17(21)20-16-6-4-3-5-15(16)19(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 357.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 35779031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).