ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate

C20H21NO5 — CID 71822818

IUPACethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc(C)c1
InChIInChI=1S/C20H21NO5/c1-3-25-20(24)16-9-4-5-10-17(16)21-18(22)13-26-19(23)12-15-8-6-7-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyLYAHBQADBCOQGS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.90
Rot. Bonds7

About ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 71822818) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate
PubChem CID71822818
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Nameethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc(C)c1
InChIInChI=1S/C20H21NO5/c1-3-25-20(24)16-9-4-5-10-17(16)21-18(22)13-26-19(23)12-15-8-6-7-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyLYAHBQADBCOQGS-UHFFFAOYSA-N
XLogP2.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[2-(3,4-dimethylphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7904826
ethyl 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71823049
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate (CID 71822818) is ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc(C)c1.
What is the InChIKey of ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is LYAHBQADBCOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-25-20(24)16-9-4-5-10-17(16)21-18(22)13-26-19(23)12-15-8-6-7-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.90, 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-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 71822818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).