2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

C14H19N5O — CID 146127109

IUPAC2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCN(Cc1nn[nH]n1)C(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-8-6-5-7-10(11)13(20)19(4)9-12-15-17-18-16-12/h5-8H,9H2,1-4H3,(H,15,16,17,18)
InChIKeyWMJWVBQSELHOCC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds3

About 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 146127109) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID146127109
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCN(Cc1nn[nH]n1)C(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-8-6-5-7-10(11)13(20)19(4)9-12-15-17-18-16-12/h5-8H,9H2,1-4H3,(H,15,16,17,18)
InChIKeyWMJWVBQSELHOCC-UHFFFAOYSA-N
XLogP1.77
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
CID 84514577
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]benzoic acid
CID 64512373
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 58796996
3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 166299405
N'-methyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
CID 130589957
2-[methyl(2H-tetrazol-5-ylmethyl)amino]ethanol
CID 130161885
1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
CID 23071301
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 146127109) is 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is CN(Cc1nn[nH]n1)C(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is WMJWVBQSELHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,3)11-8-6-5-7-10(11)13(20)19(4)9-12-15-17-18-16-12/h5-8H,9H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 146127109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).