N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C17H17N5O3 — CID 16508187

IUPACN-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1
InChIInChI=1S/C17H17N5O3/c1-24-14-8-13(9-15(10-14)25-2)18-16(23)11-22-20-17(19-21-22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyVNYICVZFKPUWGK-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.00
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16508187) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16508187
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1
InChIInChI=1S/C17H17N5O3/c1-24-14-8-13(9-15(10-14)25-2)18-16(23)11-22-20-17(19-21-22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyVNYICVZFKPUWGK-UHFFFAOYSA-N
XLogP2.00
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6484449
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 16508187) is N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is COc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is VNYICVZFKPUWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-14-8-13(9-15(10-14)25-2)18-16(23)11-22-20-17(19-21-22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16508187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).