2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

C16H22N4O2 — CID 122564046

IUPAC2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C)c(C)c1)c1ncnn1C
InChIInChI=1S/C16H22N4O2/c1-5-14(16-17-10-18-20(16)4)19-15(21)9-22-13-7-6-11(2)12(3)8-13/h6-8,10,14H,5,9H2,1-4H3,(H,19,21)
InChIKeyNDBIXCYBWQQAGT-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 122564046) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID122564046
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C)c(C)c1)c1ncnn1C
InChIInChI=1S/C16H22N4O2/c1-5-14(16-17-10-18-20(16)4)19-15(21)9-22-13-7-6-11(2)12(3)8-13/h6-8,10,14H,5,9H2,1-4H3,(H,19,21)
InChIKeyNDBIXCYBWQQAGT-UHFFFAOYSA-N
XLogP2.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 124754968
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43405748
2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 17447120

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 122564046) is 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is CCC(NC(=O)COc1ccc(C)c(C)c1)c1ncnn1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is NDBIXCYBWQQAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-14(16-17-10-18-20(16)4)19-15(21)9-22-13-7-6-11(2)12(3)8-13/h6-8,10,14H,5,9H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 122564046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).