3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide

C12H15N5O3 — CID 110720006

IUPAC3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nn[nH]n2)cc1OC
InChIInChI=1S/C12H15N5O3/c1-19-9-4-3-8(7-10(9)20-2)12(18)13-6-5-11-14-16-17-15-11/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyUOMKAPPJPRYCBE-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.19
Rot. Bonds6

About 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 110720006) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID110720006
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nn[nH]n2)cc1OC
InChIInChI=1S/C12H15N5O3/c1-19-9-4-3-8(7-10(9)20-2)12(18)13-6-5-11-14-16-17-15-11/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyUOMKAPPJPRYCBE-UHFFFAOYSA-N
XLogP0.19
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720007
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
CID 166178543
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
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N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide (CID 110720006) is 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2nn[nH]n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is UOMKAPPJPRYCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-19-9-4-3-8(7-10(9)20-2)12(18)13-6-5-11-14-16-17-15-11/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 277.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110720006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).