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

C14H25N5O — CID 47066529

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-16-17-18-19(13)10-12(20)15-11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,15,20)
InChIKeyORMXOKGYXYBSKG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.81
Rot. Bonds3

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

2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide (PubChem CID 47066529) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide
PubChem CID47066529
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-16-17-18-19(13)10-12(20)15-11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,15,20)
InChIKeyORMXOKGYXYBSKG-UHFFFAOYSA-N
XLogP1.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide (CID 47066529) is 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide is CC(C)(C)c1nnnn1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide?
The InChIKey is ORMXOKGYXYBSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)13-16-17-18-19(13)10-12(20)15-11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,15,20).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide?
2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.81, 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-cycloheptylacetamide is sourced from PubChem (CID 47066529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).