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

C21H23NO6 — CID 7211927

IUPACethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OCC)cc1
InChIInChI=1S/C21H23NO6/c1-3-13-27-16-11-9-15(10-12-16)20(24)28-14-19(23)22-18-8-6-5-7-17(18)21(25)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyRMNOCUFUESGMAH-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.45
Rot. Bonds9

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

ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate (PubChem CID 7211927) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
PubChem CID7211927
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Nameethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OCC)cc1
InChIInChI=1S/C21H23NO6/c1-3-13-27-16-11-9-15(10-12-16)20(24)28-14-19(23)22-18-8-6-5-7-17(18)21(25)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyRMNOCUFUESGMAH-UHFFFAOYSA-N
XLogP3.45
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
CID 7574754
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-butoxybenzoate
CID 8863539
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211570
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate (CID 7211927) is ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is RMNOCUFUESGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-3-13-27-16-11-9-15(10-12-16)20(24)28-14-19(23)22-18-8-6-5-7-17(18)21(25)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 385.42 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7211927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).