N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide

C12H15N5O2 — CID 46642572

IUPACN-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C12H15N5O2/c1-9(7-19-2)14-12(18)10-5-3-4-6-11(10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyJJFMIVVGDKDDOS-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.43
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide

N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 46642572) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID46642572
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C12H15N5O2/c1-9(7-19-2)14-12(18)10-5-3-4-6-11(10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyJJFMIVVGDKDDOS-UHFFFAOYSA-N
XLogP0.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide
CID 75484568
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide (CID 46642572) is N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide is COCC(C)NC(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is JJFMIVVGDKDDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(7-19-2)14-12(18)10-5-3-4-6-11(10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide?
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46642572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).