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

C18H19N5O2 — CID 7216966

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-7-15(10-13(12)2)23-17(20-21-22-23)11-19-18(24)14-5-8-16(25-3)9-6-14/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyHYBSUYFVMIXCSX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.22
Rot. Bonds5

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

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide (PubChem CID 7216966) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide
PubChem CID7216966
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-7-15(10-13(12)2)23-17(20-21-22-23)11-19-18(24)14-5-8-16(25-3)9-6-14/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyHYBSUYFVMIXCSX-UHFFFAOYSA-N
XLogP2.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473890
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
3-[5-[4-(difluoromethoxy)phenyl]-3-ethyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155543444
3-[3-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155544375
N-{[4-Ethyl-5-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-YL]methyl}-4-methoxybenzamide
CID 5057079
4-Methoxy-N-{[5-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-YL]methyl}benzamide
CID 5079216
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methoxybenzamide
CID 7216964
N-{[5-({[(2,3-Dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-YL]methyl}-4-methoxybenzamide
CID 16008728
4-butoxy-N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 16030190
N-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)-2-naphthamide
CID 16799191
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
CID 22579850

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide (CID 7216966) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide?
The InChIKey is HYBSUYFVMIXCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-4-7-15(10-13(12)2)23-17(20-21-22-23)11-19-18(24)14-5-8-16(25-3)9-6-14/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 7216966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).