2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide

C20H24FNO3 — CID 126589006

IUPAC2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
SMILESCCOc1cccc(CC(=O)NC)c1COc1ccc(CC)cc1F
InChIInChI=1S/C20H24FNO3/c1-4-14-9-10-19(17(21)11-14)25-13-16-15(12-20(23)22-3)7-6-8-18(16)24-5-2/h6-11H,4-5,12-13H2,1-3H3,(H,22,23)
InChIKeyFPPXRVYNSLJDHW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.65
Rot. Bonds8

About 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide

2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide (PubChem CID 126589006) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
PubChem CID126589006
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
SMILESCCOc1cccc(CC(=O)NC)c1COc1ccc(CC)cc1F
InChIInChI=1S/C20H24FNO3/c1-4-14-9-10-19(17(21)11-14)25-13-16-15(12-20(23)22-3)7-6-8-18(16)24-5-2/h6-11H,4-5,12-13H2,1-3H3,(H,22,23)
InChIKeyFPPXRVYNSLJDHW-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243
2-[3-ethoxy-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588276
2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126589009
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
2-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]-N-methylacetamide
CID 126588283
2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126588257
3-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylpropanamide
CID 122626549
2-[3-cyclopropyl-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588286
[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate
CID 122626621
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl] propanoate
CID 122626819

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide (CID 126589006) is 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide is CCOc1cccc(CC(=O)NC)c1COc1ccc(CC)cc1F.
What is the InChIKey of 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide?
The InChIKey is FPPXRVYNSLJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-14-9-10-19(17(21)11-14)25-13-16-15(12-20(23)22-3)7-6-8-18(16)24-5-2/h6-11H,4-5,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide?
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide has a molecular weight of 345.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 126589006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).