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

C21H27NO2 — CID 129039472

IUPAC2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
SMILESCCc1cc(C)ccc1OCc1c(CC)cccc1CC(=O)NC
InChIInChI=1S/C21H27NO2/c1-5-16-8-7-9-18(13-21(23)22-4)19(16)14-24-20-11-10-15(3)12-17(20)6-2/h7-12H,5-6,13-14H2,1-4H3,(H,22,23)
InChIKeyVAOJDZKOTPLSCR-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.99
Rot. Bonds7

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

2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide (PubChem CID 129039472) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
PubChem CID129039472
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
SMILESCCc1cc(C)ccc1OCc1c(CC)cccc1CC(=O)NC
InChIInChI=1S/C21H27NO2/c1-5-16-8-7-9-18(13-21(23)22-4)19(16)14-24-20-11-10-15(3)12-17(20)6-2/h7-12H,5-6,13-14H2,1-4H3,(H,22,23)
InChIKeyVAOJDZKOTPLSCR-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243
methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
CID 129039214
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006
2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126589009
2-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]-N-methylacetamide
CID 126588283
2-[3-ethoxy-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588276
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide (CID 129039472) is 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide is CCc1cc(C)ccc1OCc1c(CC)cccc1CC(=O)NC.
What is the InChIKey of 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
The InChIKey is VAOJDZKOTPLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-16-8-7-9-18(13-21(23)22-4)19(16)14-24-20-11-10-15(3)12-17(20)6-2/h7-12H,5-6,13-14H2,1-4H3,(H,22,23).
What are the key properties of 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide has a molecular weight of 325.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 129039472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).