3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide

C22H25N3O3 — CID 19331075

IUPAC3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
SMILESCCOc1ccc(OCc2cccc(C(=O)NCc3ccn(CC)n3)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-3-25-13-12-19(24-25)15-23-22(26)18-7-5-6-17(14-18)16-28-21-10-8-20(9-11-21)27-4-2/h5-14H,3-4,15-16H2,1-2H3,(H,23,26)
InChIKeyQXENBXFNZUYJRA-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.81
Rot. Bonds9

About 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide

3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide (PubChem CID 19331075) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
PubChem CID19331075
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
SMILESCCOc1ccc(OCc2cccc(C(=O)NCc3ccn(CC)n3)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-3-25-13-12-19(24-25)15-23-22(26)18-7-5-6-17(14-18)16-28-21-10-8-20(9-11-21)27-4-2/h5-14H,3-4,15-16H2,1-2H3,(H,23,26)
InChIKeyQXENBXFNZUYJRA-UHFFFAOYSA-N
XLogP3.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19331046
N-[(1-ethylpyrazol-3-yl)methyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide
CID 19331090
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19288449
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3-[(4-ethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449856
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400249
3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329189
3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 19292732
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330904

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide (CID 19331075) is 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide is CCOc1ccc(OCc2cccc(C(=O)NCc3ccn(CC)n3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
The InChIKey is QXENBXFNZUYJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-25-13-12-19(24-25)15-23-22(26)18-7-5-6-17(14-18)16-28-21-10-8-20(9-11-21)27-4-2/h5-14H,3-4,15-16H2,1-2H3,(H,23,26).
What are the key properties of 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19331075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).