N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C19H21N5O — CID 16508157

IUPACN-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-19(2,3)15-9-11-16(12-10-15)20-17(25)13-24-22-18(21-23-24)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyHUGCFTWBGPXSBW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16508157) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16508157
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-19(2,3)15-9-11-16(12-10-15)20-17(25)13-24-22-18(21-23-24)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyHUGCFTWBGPXSBW-UHFFFAOYSA-N
XLogP3.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825534
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 16508157) is N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is CC(C)(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is HUGCFTWBGPXSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)15-9-11-16(12-10-15)20-17(25)13-24-22-18(21-23-24)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,25).
What are the key properties of N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).