2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide

C17H17N5O2 — CID 26676736

IUPAC2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C17H17N5O2/c1-21(14-8-4-3-5-9-14)16(23)12-22-19-17(18-20-22)13-7-6-10-15(11-13)24-2/h3-11H,12H2,1-2H3
InChIKeyVYPGRMJSEBGAMH-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.01
Rot. Bonds5

About 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide

2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide (PubChem CID 26676736) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
PubChem CID26676736
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C17H17N5O2/c1-21(14-8-4-3-5-9-14)16(23)12-22-19-17(18-20-22)13-7-6-10-15(11-13)24-2/h3-11H,12H2,1-2H3
InChIKeyVYPGRMJSEBGAMH-UHFFFAOYSA-N
XLogP2.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
CID 51174124
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 46978123
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 177372549
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40919493
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 31129926
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide (CID 26676736) is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide is COc1cccc(-c2nnn(CC(=O)N(C)c3ccccc3)n2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
The InChIKey is VYPGRMJSEBGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(14-8-4-3-5-9-14)16(23)12-22-19-17(18-20-22)13-7-6-10-15(11-13)24-2/h3-11H,12H2,1-2H3.
What are the key properties of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide has a molecular weight of 323.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 26676736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).