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

C16H24N6O — CID 859247

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H24N6O/c1-6-16(2,3)17-14(23)11-22-19-15(18-20-22)12-7-9-13(10-8-12)21(4)5/h7-10H,6,11H2,1-5H3,(H,17,23)
InChIKeyVWHIJJFNBYASKC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.71
Rot. Bonds6

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

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 859247) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID859247
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H24N6O/c1-6-16(2,3)17-14(23)11-22-19-15(18-20-22)12-7-9-13(10-8-12)21(4)5/h7-10H,6,11H2,1-5H3,(H,17,23)
InChIKeyVWHIJJFNBYASKC-UHFFFAOYSA-N
XLogP1.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide (CID 859247) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is VWHIJJFNBYASKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-6-16(2,3)17-14(23)11-22-19-15(18-20-22)12-7-9-13(10-8-12)21(4)5/h7-10H,6,11H2,1-5H3,(H,17,23).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.71, 6 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 859247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).