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

C14H19N5O — CID 47331001

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1nnnc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-14(2,3)13-15-16-17-19(13)10-12(20)18(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyVTTRLSQVWKKINE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds3

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

2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide (PubChem CID 47331001) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide
PubChem CID47331001
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1nnnc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-14(2,3)13-15-16-17-19(13)10-12(20)18(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyVTTRLSQVWKKINE-UHFFFAOYSA-N
XLogP1.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
1H-Tetrazole-5-pentanamide, N-cyclohexyl-N-ethyl-1-phenyl-
CID 3062260
N-(4-fluorophenyl)-2-(5-methyl-1H-tetraazol-1-yl)acetamide
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Cambridge id 6816388
CID 829145
1-(2-fluorophenyl)-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 25276816
3-ethyl-7-(3-fluorophenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585047
7-(4-fluorophenyl)-3-propyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585058
7-(4-fluorophenyl)-3-(propan-2-yl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585065
7-(3-fluorophenyl)-3-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 45106030
2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 47073908
1-[(1-Cyclopropyltetrazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 53499120
3-(1-butyltetrazol-5-yl)-1H-quinoxalin-2-one
CID 136153817

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide (CID 47331001) is 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide is CN(C(=O)Cn1nnnc1C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide?
The InChIKey is VTTRLSQVWKKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,3)13-15-16-17-19(13)10-12(20)18(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide?
2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 47331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).