N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide

C14H19N5O — CID 7216944

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide
SMILESCc1ccc(-n2nnnc2CNC(=O)C(C)C)cc1C
InChIInChI=1S/C14H19N5O/c1-9(2)14(20)15-8-13-16-17-18-19(13)12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,15,20)
InChIKeyXSLPSAGEDMFHQW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide (PubChem CID 7216944) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide
PubChem CID7216944
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide
SMILESCc1ccc(-n2nnnc2CNC(=O)C(C)C)cc1C
InChIInChI=1S/C14H19N5O/c1-9(2)14(20)15-8-13-16-17-18-19(13)12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,15,20)
InChIKeyXSLPSAGEDMFHQW-UHFFFAOYSA-N
XLogP1.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2,2-dimethylpropanamide
CID 16030168
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 16030217
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide
CID 16030221
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16799168
3-(1-benzyltetrazol-5-yl)-6,7-dimethyl-1H-quinoxalin-2-one
CID 136153815
N-cyclopropyl-2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 7661441
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}benzamide
CID 7216953
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methylbenzamide
CID 7216954
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-fluorobenzamide
CID 16030197
1-(3,4-Dimethylphenyl)-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-5-oxopyrrolidine-3-carboxamide
CID 16030225
4-[Benzyl(methyl)amino]-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383701

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide (CID 7216944) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide is Cc1ccc(-n2nnnc2CNC(=O)C(C)C)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide?
The InChIKey is XSLPSAGEDMFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)14(20)15-8-13-16-17-18-19(13)12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,15,20).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 7216944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).