3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide

C14H19N5O4 — CID 1358440

IUPAC3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nn[nH]n2)cc(OCC)c1OCC
InChIInChI=1S/C14H19N5O4/c1-4-21-10-7-9(13(20)15-14-16-18-19-17-14)8-11(22-5-2)12(10)23-6-3/h7-8H,4-6H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWYGJHFZHFMDAJK-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.65
Rot. Bonds8

About 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide

3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 1358440) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID1358440
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nn[nH]n2)cc(OCC)c1OCC
InChIInChI=1S/C14H19N5O4/c1-4-21-10-7-9(13(20)15-14-16-18-19-17-14)8-11(22-5-2)12(10)23-6-3/h7-8H,4-6H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWYGJHFZHFMDAJK-UHFFFAOYSA-N
XLogP1.65
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide (CID 1358440) is 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide is CCOc1cc(C(=O)Nc2nn[nH]n2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is WYGJHFZHFMDAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-4-21-10-7-9(13(20)15-14-16-18-19-17-14)8-11(22-5-2)12(10)23-6-3/h7-8H,4-6H2,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide?
3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 1358440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).