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

C13H16N4O3 — CID 78927671

IUPAC3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2n[nH]c(C)n2)cc1
InChIInChI=1S/C13H16N4O3/c1-9-14-13(17-16-9)15-12(18)7-8-20-11-5-3-10(19-2)4-6-11/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyTYRCBJZMIBKZBM-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.53
Rot. Bonds6

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

3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 78927671) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID78927671
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2n[nH]c(C)n2)cc1
InChIInChI=1S/C13H16N4O3/c1-9-14-13(17-16-9)15-12(18)7-8-20-11-5-3-10(19-2)4-6-11/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyTYRCBJZMIBKZBM-UHFFFAOYSA-N
XLogP1.53
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927615
4-(4-bromophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78927713
3-(4-methoxyphenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 115630345
N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide
CID 78927673
3-(4-methoxyphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393499
2-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927542
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927640
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927633
2-(5-chloro-2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927767

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 78927671) is 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is COc1ccc(OCCC(=O)Nc2n[nH]c(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is TYRCBJZMIBKZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-14-13(17-16-9)15-12(18)7-8-20-11-5-3-10(19-2)4-6-11/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 276.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 78927671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).