2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C20H21N3O3 — CID 39694973

IUPAC2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-25-18-7-9-19(10-8-18)26-15-20(24)22-17-6-3-5-16(13-17)14-23-12-4-11-21-23/h3-13H,2,14-15H2,1H3,(H,22,24)
InChIKeyWZVKWHJXRRCLPW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 39694973) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID39694973
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-25-18-7-9-19(10-8-18)26-15-20(24)22-17-6-3-5-16(13-17)14-23-12-4-11-21-23/h3-13H,2,14-15H2,1H3,(H,22,24)
InChIKeyWZVKWHJXRRCLPW-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55610898
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39190233
4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55619442
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 39694973) is 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is CCOc1ccc(OCC(=O)Nc2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is WZVKWHJXRRCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-25-18-7-9-19(10-8-18)26-15-20(24)22-17-6-3-5-16(13-17)14-23-12-4-11-21-23/h3-13H,2,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 39694973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).