2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide

C14H19N5O — CID 71859951

IUPAC2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
SMILESCCCC(NC(=O)c1ccc(C)cc1C)c1nn[nH]n1
InChIInChI=1S/C14H19N5O/c1-4-5-12(13-16-18-19-17-13)15-14(20)11-7-6-9(2)8-10(11)3/h6-8,12H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyVCFYOQGYNMUYDP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.09
Rot. Bonds5

About 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide

2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide (PubChem CID 71859951) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
PubChem CID71859951
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
SMILESCCCC(NC(=O)c1ccc(C)cc1C)c1nn[nH]n1
InChIInChI=1S/C14H19N5O/c1-4-5-12(13-16-18-19-17-13)15-14(20)11-7-6-9(2)8-10(11)3/h6-8,12H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyVCFYOQGYNMUYDP-UHFFFAOYSA-N
XLogP2.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide (CID 71859951) is 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide is CCCC(NC(=O)c1ccc(C)cc1C)c1nn[nH]n1.
What is the InChIKey of 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The InChIKey is VCFYOQGYNMUYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-5-12(13-16-18-19-17-13)15-14(20)11-7-6-9(2)8-10(11)3/h6-8,12H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide is sourced from PubChem (CID 71859951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).