ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate

C19H17N5O5 — CID 41195072

IUPACethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H17N5O5/c1-2-28-19(27)15-8-3-4-9-16(15)21-17(25)11-29-18(26)13-6-5-7-14(10-13)24-12-20-22-23-24/h3-10,12H,2,11H2,1H3,(H,21,25)
InChIKeyLUTODBGCBQOQQB-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.63
Rot. Bonds7

About ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate (PubChem CID 41195072) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
PubChem CID41195072
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Nameethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H17N5O5/c1-2-28-19(27)15-8-3-4-9-16(15)21-17(25)11-29-18(26)13-6-5-7-14(10-13)24-12-20-22-23-24/h3-10,12H,2,11H2,1H3,(H,21,25)
InChIKeyLUTODBGCBQOQQB-UHFFFAOYSA-N
XLogP1.63
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 42405028
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 31801651
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 29387354
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 31303419
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2425256
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18082117

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate (CID 41195072) is ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate?
The InChIKey is LUTODBGCBQOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-2-28-19(27)15-8-3-4-9-16(15)21-17(25)11-29-18(26)13-6-5-7-14(10-13)24-12-20-22-23-24/h3-10,12H,2,11H2,1H3,(H,21,25).
What are the key properties of ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate has a molecular weight of 395.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 41195072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).