2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide

C15H27N5O — CID 47770860

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2nnnc2C(C)(C)C)C1C
InChIInChI=1S/C15H27N5O/c1-10-7-6-8-12(11(10)2)16-13(21)9-20-14(15(3,4)5)17-18-19-20/h10-12H,6-9H2,1-5H3,(H,16,21)
InChIKeyCGEAMJIJCFYJNO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.91
Rot. Bonds3

About 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 47770860) 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-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID47770860
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2nnnc2C(C)(C)C)C1C
InChIInChI=1S/C15H27N5O/c1-10-7-6-8-12(11(10)2)16-13(21)9-20-14(15(3,4)5)17-18-19-20/h10-12H,6-9H2,1-5H3,(H,16,21)
InChIKeyCGEAMJIJCFYJNO-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole-5-pentanamide, 1-cyclohexyl-N,N-diethyl-
CID 3062259
N-(3-methylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45810314
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-propylpentanamide
CID 41568277
N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 42890986
N-(2,3-dimethylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45796482
N-(2-ethylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45817414
2-(5-tert-butyltetrazol-1-yl)-N-cyclooctylacetamide
CID 47066523
2-(5-tert-butyltetrazol-1-yl)-N-cycloheptylacetamide
CID 47066529
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 47138925
2-(5-tert-butyltetrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
CID 47256342
2-(5-tert-butyltetrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 47331092
2-(5-tert-butyltetrazol-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 47770938

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 47770860) is 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cn2nnnc2C(C)(C)C)C1C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is CGEAMJIJCFYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-10-7-6-8-12(11(10)2)16-13(21)9-20-14(15(3,4)5)17-18-19-20/h10-12H,6-9H2,1-5H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.91, 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 47770860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).