2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide

C14H25N5O — CID 75392437

IUPAC2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1nnnc1C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-3-12(4-2)15-13(20)10-19-14(16-17-18-19)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,15,20)
InChIKeyQWLXTMVODNDEAQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.03
Rot. Bonds6

About 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide

2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 75392437) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide
PubChem CID75392437
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1nnnc1C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-3-12(4-2)15-13(20)10-19-14(16-17-18-19)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,15,20)
InChIKeyQWLXTMVODNDEAQ-UHFFFAOYSA-N
XLogP2.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.03
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
US11845767, Example 271
CID 170795370
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)isobutyramide
CID 41568266
N-(3-methylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45810314
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
CID 72924284
2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]hexanamide
CID 121521258
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide
CID 124741455
1-[(3S)-3-(cyclohexylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]ethanone
CID 164642068
13-Propan-2-yl-1,8,12,15,16,17-hexazabicyclo[12.3.0]heptadeca-14,16-dien-7-one
CID 135034638
Pamta chloride
CID 129468
N-[1-(1-cyclohexyl-1H-tetraazol-5-yl)cyclohexyl]acetamide
CID 830664
N-(cyclopropylmethyl)-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 26409204

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide (CID 75392437) is 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1nnnc1C1CCCCC1.
What is the InChIKey of 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is QWLXTMVODNDEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-12(4-2)15-13(20)10-19-14(16-17-18-19)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,15,20).
What are the key properties of 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide?
2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 279.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyltetrazol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 75392437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).