2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C21H23N3O3 — CID 31953409

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C21H23N3O3/c1-16-8-9-19(20(12-16)26-2)27-15-21(25)22-13-17-6-3-4-7-18(17)14-24-11-5-10-23-24/h3-12H,13-15H2,1-2H3,(H,22,25)
InChIKeyMZEWKLWQXRAQSS-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.94
Rot. Bonds8

About 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 31953409) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID31953409
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C21H23N3O3/c1-16-8-9-19(20(12-16)26-2)27-15-21(25)22-13-17-6-3-4-7-18(17)14-24-11-5-10-23-24/h3-12H,13-15H2,1-2H3,(H,22,25)
InChIKeyMZEWKLWQXRAQSS-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55525747
3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 35955494
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081
2-(2,5-dimethylphenoxy)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065540
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948572
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
4-ethoxy-5-methoxy-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34584460
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 31953409) is 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is COc1cc(C)ccc1OCC(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is MZEWKLWQXRAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-16-8-9-19(20(12-16)26-2)27-15-21(25)22-13-17-6-3-4-7-18(17)14-24-11-5-10-23-24/h3-12H,13-15H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 31953409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).