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

C15H21N5O — CID 60548380

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)14-17-18-19-20(14)11-13(21)16-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,21)
InChIKeyQTVQTXMGQINPNZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds5

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

2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 60548380) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID60548380
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)14-17-18-19-20(14)11-13(21)16-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,21)
InChIKeyQTVQTXMGQINPNZ-UHFFFAOYSA-N
XLogP1.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide 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

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 63999159
3-[2-oxo-2-(2-phenylethylamino)ethyl]triazole-4-carboxylic acid
CID 82202621
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 146123479
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 47256348
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
CID 35975955
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 51089388
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-propylacetamide
CID 82211365
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide (CID 60548380) is 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide is CC(C)(C)c1nnnn1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is QTVQTXMGQINPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)14-17-18-19-20(14)11-13(21)16-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.33, 5 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-phenylethyl)acetamide is sourced from PubChem (CID 60548380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).