2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide

C21H27NO3 — CID 126589388

IUPAC2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
SMILESCCc1cc(C)c(OCc2c(CC(=O)NC)cccc2OC)cc1C
InChIInChI=1S/C21H27NO3/c1-6-16-10-15(3)20(11-14(16)2)25-13-18-17(12-21(23)22-4)8-7-9-19(18)24-5/h7-11H,6,12-13H2,1-5H3,(H,22,23)
InChIKeyHIBOYOYDKDCBJT-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.74
Rot. Bonds7

About 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide

2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide (PubChem CID 126589388) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
PubChem CID126589388
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
SMILESCCc1cc(C)c(OCc2c(CC(=O)NC)cccc2OC)cc1C
InChIInChI=1S/C21H27NO3/c1-6-16-10-15(3)20(11-14(16)2)25-13-18-17(12-21(23)22-4)8-7-9-19(18)24-5/h7-11H,6,12-13H2,1-5H3,(H,22,23)
InChIKeyHIBOYOYDKDCBJT-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
CID 129039360
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
CID 122626883
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
3-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanethioamide
CID 122626856
S-[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamothioate
CID 122649578
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methylsulfanylphenyl] methyl carbonate
CID 122649429
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
CID 126588250
S-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methylsulfanylphenyl] N-methylcarbamothioate
CID 122626861
2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide (CID 126589388) is 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide is CCc1cc(C)c(OCc2c(CC(=O)NC)cccc2OC)cc1C.
What is the InChIKey of 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide?
The InChIKey is HIBOYOYDKDCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-16-10-15(3)20(11-14(16)2)25-13-18-17(12-21(23)22-4)8-7-9-19(18)24-5/h7-11H,6,12-13H2,1-5H3,(H,22,23).
What are the key properties of 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide?
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide has a molecular weight of 341.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide is sourced from PubChem (CID 126589388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).