2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C20H21N3O3 — CID 55954266

IUPAC2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H21N3O3/c1-25-18-8-2-3-9-19(18)26-15-20(24)21-13-16-6-4-7-17(12-16)14-23-11-5-10-22-23/h2-12H,13-15H2,1H3,(H,21,24)
InChIKeyZSOIDPTVJJSVGR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.64
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55954266) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55954266
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H21N3O3/c1-25-18-8-2-3-9-19(18)26-15-20(24)21-13-16-6-4-7-17(12-16)14-23-11-5-10-22-23/h2-12H,13-15H2,1H3,(H,21,24)
InChIKeyZSOIDPTVJJSVGR-UHFFFAOYSA-N
XLogP2.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954270
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992172
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111340366
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55954266) is 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is COc1ccccc1OCC(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is ZSOIDPTVJJSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-8-2-3-9-19(18)26-15-20(24)21-13-16-6-4-7-17(12-16)14-23-11-5-10-22-23/h2-12H,13-15H2,1H3,(H,21,24).
What are the key properties of 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55954266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).