2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide

C17H18N6O — CID 860998

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
SMILESCN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H18N6O/c1-22(2)15-10-8-13(9-11-15)17-19-21-23(20-17)12-16(24)18-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,24)
InChIKeyXMDSVGVKICXRAH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.04
Rot. Bonds5

About 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide (PubChem CID 860998) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
PubChem CID860998
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
SMILESCN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H18N6O/c1-22(2)15-10-8-13(9-11-15)17-19-21-23(20-17)12-16(24)18-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,24)
InChIKeyXMDSVGVKICXRAH-UHFFFAOYSA-N
XLogP2.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 1146774
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860890
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
CID 3188668
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide (CID 860998) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide is CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is XMDSVGVKICXRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22(2)15-10-8-13(9-11-15)17-19-21-23(20-17)12-16(24)18-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,24).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide has a molecular weight of 322.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 860998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).