2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C13H16N4O3 — CID 60983446

IUPAC2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCCOc1ccccc1OCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C13H16N4O3/c1-2-19-10-5-3-4-6-11(10)20-8-13(18)14-7-12-15-9-16-17-12/h3-6,9H,2,7-8H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyWOZDWSYZCLOOQI-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.90
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60983446) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60983446
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCCOc1ccccc1OCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C13H16N4O3/c1-2-19-10-5-3-4-6-11(10)20-8-13(18)14-7-12-15-9-16-17-12/h3-6,9H,2,7-8H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyWOZDWSYZCLOOQI-UHFFFAOYSA-N
XLogP0.90
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716236
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547664
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282
1-(2-ethoxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54884867
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 103164811
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60983446) is 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CCOc1ccccc1OCC(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is WOZDWSYZCLOOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-19-10-5-3-4-6-11(10)20-8-13(18)14-7-12-15-9-16-17-12/h3-6,9H,2,7-8H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60983446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).