N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide

C11H13N5O — CID 110498051

IUPACN-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(C(=O)Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H13N5O/c1-2-16(9-6-4-3-5-7-9)11(17)8-10-12-14-15-13-10/h3-7H,2,8H2,1H3,(H,12,13,14,15)
InChIKeyHLBUFHJKIXEGQE-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.80
Rot. Bonds4

About N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide

N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110498051) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110498051
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(C(=O)Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H13N5O/c1-2-16(9-6-4-3-5-7-9)11(17)8-10-12-14-15-13-10/h3-7H,2,8H2,1H3,(H,12,13,14,15)
InChIKeyHLBUFHJKIXEGQE-UHFFFAOYSA-N
XLogP0.80
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
N-ethyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771447
N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 110691733
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370
N-ethyl-2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772768
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582677
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide (CID 110498051) is N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide is CCN(C(=O)Cc1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is HLBUFHJKIXEGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-16(9-6-4-3-5-7-9)11(17)8-10-12-14-15-13-10/h3-7H,2,8H2,1H3,(H,12,13,14,15).
What are the key properties of N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110498051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).