ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate

C19H19NO5 — CID 2506632

IUPACethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO5/c1-3-24-19(23)15-6-4-5-7-16(15)20-17(21)12-25-18(22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyCGYPJDUXQLLUCM-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.97
Rot. Bonds6

About ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate

ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate (PubChem CID 2506632) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
PubChem CID2506632
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Nameethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO5/c1-3-24-19(23)15-6-4-5-7-16(15)20-17(21)12-25-18(22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyCGYPJDUXQLLUCM-UHFFFAOYSA-N
XLogP2.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate (CID 2506632) is ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is CGYPJDUXQLLUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-24-19(23)15-6-4-5-7-16(15)20-17(21)12-25-18(22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate?
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2506632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).