2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C14H18N4O2 — CID 719144

IUPAC2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)10-6-4-5-7-11(10)20-8-12(19)17-13-15-9-16-18-13/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyXPMNWHIVLSYPTG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 719144) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID719144
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)10-6-4-5-7-11(10)20-8-12(19)17-13-15-9-16-18-13/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyXPMNWHIVLSYPTG-UHFFFAOYSA-N
XLogP2.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
4-[(2,4-dimethylphenoxy)acetyl]-4H-1,2,4-triazol-3-amine
CID 2940581
2-(3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 6471361

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 719144) is 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is XPMNWHIVLSYPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)10-6-4-5-7-11(10)20-8-12(19)17-13-15-9-16-18-13/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 719144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).