2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C18H19N5O2 — CID 886805

IUPAC2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c(C)c1
InChIInChI=1S/C18H19N5O2/c1-12-8-13(2)18(14(3)9-12)20-17(24)10-25-16-6-4-15(5-7-16)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeyRVZSSBONHQHVAC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 886805) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID886805
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c(C)c1
InChIInChI=1S/C18H19N5O2/c1-12-8-13(2)18(14(3)9-12)20-17(24)10-25-16-6-4-15(5-7-16)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeyRVZSSBONHQHVAC-UHFFFAOYSA-N
XLogP2.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 886805) is 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c(C)c1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is RVZSSBONHQHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-8-13(2)18(14(3)9-12)20-17(24)10-25-16-6-4-15(5-7-16)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 886805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).