N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide

C14H25N5O — CID 134029552

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2cnnn2)CC1
InChIInChI=1S/C14H25N5O/c1-4-14(2,3)11-5-7-12(8-6-11)16-13(20)9-19-10-15-17-18-19/h10-12H,4-9H2,1-3H3,(H,16,20)
InChIKeyHZTBYJTUVJDFBU-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.78
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 134029552) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
PubChem CID134029552
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2cnnn2)CC1
InChIInChI=1S/C14H25N5O/c1-4-14(2,3)11-5-7-12(8-6-11)16-13(20)9-19-10-15-17-18-19/h10-12H,4-9H2,1-3H3,(H,16,20)
InChIKeyHZTBYJTUVJDFBU-UHFFFAOYSA-N
XLogP1.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide 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 N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide (CID 134029552) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide is CCC(C)(C)C1CCC(NC(=O)Cn2cnnn2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is HZTBYJTUVJDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-14(2,3)11-5-7-12(8-6-11)16-13(20)9-19-10-15-17-18-19/h10-12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 134029552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).