2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide

C15H27N5O — CID 47066523

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C15H27N5O/c1-15(2,3)14-17-18-19-20(14)11-13(21)16-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyNHLVMPIWRISGKC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.20
Rot. Bonds3

About 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide

2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide (PubChem CID 47066523) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide
PubChem CID47066523
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C15H27N5O/c1-15(2,3)14-17-18-19-20(14)11-13(21)16-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyNHLVMPIWRISGKC-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide (CID 47066523) is 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide is CC(C)(C)c1nnnn1CC(=O)NC1CCCCCCC1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide?
The InChIKey is NHLVMPIWRISGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-15(2,3)14-17-18-19-20(14)11-13(21)16-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide?
2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide has a molecular weight of 293.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide is sourced from PubChem (CID 47066523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).