2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide

C16H22N4O3 — CID 166319183

IUPAC2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(NC(=O)COc2ccccc2C(C)(C)C)n(C)c1=O
InChIInChI=1S/C16H22N4O3/c1-16(2,3)11-8-6-7-9-12(11)23-10-13(21)17-14-18-20(5)15(22)19(14)4/h6-9H,10H2,1-5H3,(H,17,18,21)
InChIKeyPBLXEWZBYZQCGK-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide

2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide (PubChem CID 166319183) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide
PubChem CID166319183
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(NC(=O)COc2ccccc2C(C)(C)C)n(C)c1=O
InChIInChI=1S/C16H22N4O3/c1-16(2,3)11-8-6-7-9-12(11)23-10-13(21)17-14-18-20(5)15(22)19(14)4/h6-9H,10H2,1-5H3,(H,17,18,21)
InChIKeyPBLXEWZBYZQCGK-UHFFFAOYSA-N
XLogP1.43
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide (CID 166319183) is 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide is Cn1nc(NC(=O)COc2ccccc2C(C)(C)C)n(C)c1=O.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide?
The InChIKey is PBLXEWZBYZQCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)11-8-6-7-9-12(11)23-10-13(21)17-14-18-20(5)15(22)19(14)4/h6-9H,10H2,1-5H3,(H,17,18,21).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide?
2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 166319183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).