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

C18H19N5O2 — CID 7216964

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C18H19N5O2/c1-12-8-9-14(10-13(12)2)23-17(20-21-22-23)11-19-18(24)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyMCJHFHOGRVMKOS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.22
Rot. Bonds5

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

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide (PubChem CID 7216964) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
PubChem CID7216964
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C18H19N5O2/c1-12-8-9-14(10-13(12)2)23-17(20-21-22-23)11-19-18(24)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyMCJHFHOGRVMKOS-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide (CID 7216964) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The InChIKey is MCJHFHOGRVMKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-8-9-14(10-13(12)2)23-17(20-21-22-23)11-19-18(24)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 7216964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).