ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate

C19H19N5O3 — CID 589347

IUPACethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-3-27-19(26)14-8-10-15(11-9-14)20-17(25)12-24-22-18(21-23-24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyKIQUVMAZPLWNDI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.46
Rot. Bonds6

About ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate

ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate (PubChem CID 589347) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
PubChem CID589347
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Nameethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-3-27-19(26)14-8-10-15(11-9-14)20-17(25)12-24-22-18(21-23-24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyKIQUVMAZPLWNDI-UHFFFAOYSA-N
XLogP2.46
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate (CID 589347) is ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1.
What is the InChIKey of ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate?
The InChIKey is KIQUVMAZPLWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-27-19(26)14-8-10-15(11-9-14)20-17(25)12-24-22-18(21-23-24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,25).
What are the key properties of ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate is sourced from PubChem (CID 589347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).