N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide

C22H25N3O2 — CID 70720863

IUPACN-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCc1cccc(OCCN(C)C(=O)c2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-3-18-7-5-10-21(16-18)27-14-13-24(2)22(26)20-9-4-8-19(15-20)17-25-12-6-11-23-25/h4-12,15-16H,3,13-14,17H2,1-2H3
InChIKeyAOUOXYZJGUMDBW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide

N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 70720863) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID70720863
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCc1cccc(OCCN(C)C(=O)c2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-3-18-7-5-10-21(16-18)27-14-13-24(2)22(26)20-9-4-8-19(15-20)17-25-12-6-11-23-25/h4-12,15-16H,3,13-14,17H2,1-2H3
InChIKeyAOUOXYZJGUMDBW-UHFFFAOYSA-N
XLogP3.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 19449951
1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole
CID 141063821
N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
CID 50982439
N,3-diethyl-N-methylbenzamide
CID 89250993
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
CID 82109404
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
CID 121498185
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 26995436
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide (CID 70720863) is N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide is CCc1cccc(OCCN(C)C(=O)c2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is AOUOXYZJGUMDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-18-7-5-10-21(16-18)27-14-13-24(2)22(26)20-9-4-8-19(15-20)17-25-12-6-11-23-25/h4-12,15-16H,3,13-14,17H2,1-2H3.
What are the key properties of N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 70720863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).