3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C22H25N3O2 — CID 19452211

IUPAC3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)N(C)Cc3ccn(C)n3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-16-8-9-17(2)21(12-16)27-15-18-6-5-7-19(13-18)22(26)24(3)14-20-10-11-25(4)23-20/h5-13H,14-15H2,1-4H3
InChIKeyXDOOPVWGHIUBBY-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.89
Rot. Bonds6

About 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19452211) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19452211
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)N(C)Cc3ccn(C)n3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-16-8-9-17(2)21(12-16)27-15-18-6-5-7-19(13-18)22(26)24(3)14-20-10-11-25(4)23-20/h5-13H,14-15H2,1-4H3
InChIKeyXDOOPVWGHIUBBY-UHFFFAOYSA-N
XLogP3.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449946
N-methyl-3-[(3-methyl-4-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452133
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330904
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452202
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454029
3-[(4-ethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449856
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19452066
N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19452093
4-[(4-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452193
4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410615
3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329189

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19452211) is 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cc1ccc(C)c(OCc2cccc(C(=O)N(C)Cc3ccn(C)n3)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is XDOOPVWGHIUBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-8-9-17(2)21(12-16)27-15-18-6-5-7-19(13-18)22(26)24(3)14-20-10-11-25(4)23-20/h5-13H,14-15H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19452211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).