4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide

C14H19N5O — CID 653392

IUPAC4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide
SMILESCCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H19N5O/c1-5-19-17-13(16-18-19)15-12(20)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17,20)
InChIKeyJMRBVWREYLDWFD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.24
Rot. Bonds3

About 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide

4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide (PubChem CID 653392) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide
PubChem CID653392
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide
SMILESCCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H19N5O/c1-5-19-17-13(16-18-19)15-12(20)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17,20)
InChIKeyJMRBVWREYLDWFD-UHFFFAOYSA-N
XLogP2.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide (CID 653392) is 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide is CCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide?
The InChIKey is JMRBVWREYLDWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-5-19-17-13(16-18-19)15-12(20)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17,20).
What are the key properties of 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide?
4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide is sourced from PubChem (CID 653392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).