2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide

C14H25N5O — CID 146123479

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCC1CCCCC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-16-17-18-19(13)10-12(20)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,15,20)
InChIKeyNJSFZHUWPTYNLK-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.67
Rot. Bonds4

About 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide

2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide (PubChem CID 146123479) 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-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide
PubChem CID146123479
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCC1CCCCC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-16-17-18-19(13)10-12(20)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,15,20)
InChIKeyNJSFZHUWPTYNLK-UHFFFAOYSA-N
XLogP1.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 60548380
2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 60586371
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 78765007
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 55029562
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide
CID 126829519
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642926
N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
CID 55602625
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide
CID 136548229

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide (CID 146123479) is 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide is CC(C)(C)c1nnnn1CC(=O)NCC1CCCCC1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide?
The InChIKey is NJSFZHUWPTYNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)13-16-17-18-19(13)10-12(20)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,15,20).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.67, 4 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 146123479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).