2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide

C16H20N6O — CID 47073908

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
SMILESCC(C)(C)c1nnnn1CC(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C16H20N6O/c1-16(2,3)15-18-19-20-22(15)12-14(23)21(11-7-10-17)13-8-5-4-6-9-13/h4-6,8-9H,7,11-12H2,1-3H3
InChIKeyYMJJGJBZDUGFPN-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.92
Rot. Bonds5

About 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide

2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide (PubChem CID 47073908) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
PubChem CID47073908
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
SMILESCC(C)(C)c1nnnn1CC(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C16H20N6O/c1-16(2,3)15-18-19-20-22(15)12-14(23)21(11-7-10-17)13-8-5-4-6-9-13/h4-6,8-9H,7,11-12H2,1-3H3
InChIKeyYMJJGJBZDUGFPN-UHFFFAOYSA-N
XLogP1.92
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-(5-methyl-1H-tetraazol-1-yl)acetamide
CID 685547
1-(2-fluorophenyl)-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 25276816
2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide
CID 47331001
2-(5-Methyl-1H-tetrazol-1-YL)-N-phenylacetamide
CID 699135
3-ethyl-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
CID 42585046
N-(cyanomethyl)-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692566
N-[2-(3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylaniline
CID 70782020
N-[2-(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylaniline
CID 72840158
N-[(1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1H-tetrazol-5-yl)methyl]-N-methyl-2-propanamine
CID 25289847
1-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2-methylpropan-1-one
CID 30857867
1-(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 30858211
1-(4-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 30937455

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide (CID 47073908) is 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide is CC(C)(C)c1nnnn1CC(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
The InChIKey is YMJJGJBZDUGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-16(2,3)15-18-19-20-22(15)12-14(23)21(11-7-10-17)13-8-5-4-6-9-13/h4-6,8-9H,7,11-12H2,1-3H3.
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide has a molecular weight of 312.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide is sourced from PubChem (CID 47073908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).