N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

C18H22N6O — CID 7589056

IUPACN-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2nnn(CC(=O)NC3(C#N)CCCC3)n2)cc1
InChIInChI=1S/C18H22N6O/c1-13(2)14-5-7-15(8-6-14)17-21-23-24(22-17)11-16(25)20-18(12-19)9-3-4-10-18/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,25)
InChIKeyOQCQAMLHUQWEJF-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.42
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7589056) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID7589056
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2nnn(CC(=O)NC3(C#N)CCCC3)n2)cc1
InChIInChI=1S/C18H22N6O/c1-13(2)14-5-7-15(8-6-14)17-21-23-24(22-17)11-16(25)20-18(12-19)9-3-4-10-18/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,25)
InChIKeyOQCQAMLHUQWEJF-UHFFFAOYSA-N
XLogP2.42
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
CID 7490896
N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 154801764
N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 9355936
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7998545
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 7489431

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (CID 7589056) is N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is CC(C)c1ccc(-c2nnn(CC(=O)NC3(C#N)CCCC3)n2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is OQCQAMLHUQWEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(2)14-5-7-15(8-6-14)17-21-23-24(22-17)11-16(25)20-18(12-19)9-3-4-10-18/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,25).
What are the key properties of N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 338.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7589056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).