3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

C13H16N4O2 — CID 78927615

IUPAC3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2n[nH]c(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)19-8-7-12(18)15-13-14-10(2)16-17-13/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVSORXEBWZPYEQL-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.83
Rot. Bonds5

About 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 78927615) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID78927615
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2n[nH]c(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)19-8-7-12(18)15-13-14-10(2)16-17-13/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVSORXEBWZPYEQL-UHFFFAOYSA-N
XLogP1.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927671
4-(4-bromophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78927713
3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393951
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927661
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 108811234
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
3-(4-methoxyphenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 115630345
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 78927615) is 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1ccc(OCCC(=O)Nc2n[nH]c(C)n2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is VSORXEBWZPYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)19-8-7-12(18)15-13-14-10(2)16-17-13/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 78927615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).