4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide

C23H27N3O2 — CID 19462655

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3c(C)cccc3C)cc2)n1
InChIInChI=1S/C23H27N3O2/c1-5-26-14-13-21(25-26)18(4)24-23(27)20-11-9-19(10-12-20)15-28-22-16(2)7-6-8-17(22)3/h6-14,18H,5,15H2,1-4H3,(H,24,27)
InChIKeyXJHHPBLMOSBVBS-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.59
Rot. Bonds7

About 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide

4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide (PubChem CID 19462655) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
PubChem CID19462655
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3c(C)cccc3C)cc2)n1
InChIInChI=1S/C23H27N3O2/c1-5-26-14-13-21(25-26)18(4)24-23(27)20-11-9-19(10-12-20)15-28-22-16(2)7-6-8-17(22)3/h6-14,18H,5,15H2,1-4H3,(H,24,27)
InChIKeyXJHHPBLMOSBVBS-UHFFFAOYSA-N
XLogP4.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19462609
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide
CID 19462618
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19462556
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462894
4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392266
4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1235903

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide (CID 19462655) is 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide is CCn1ccc(C(C)NC(=O)c2ccc(COc3c(C)cccc3C)cc2)n1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is XJHHPBLMOSBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-26-14-13-21(25-26)18(4)24-23(27)20-11-9-19(10-12-20)15-28-22-16(2)7-6-8-17(22)3/h6-14,18H,5,15H2,1-4H3,(H,24,27).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 19462655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).