N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide

C19H23NO2 — CID 129039360

IUPACN-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1COc1cc(C)c(C)cc1C
InChIInChI=1S/C19H23NO2/c1-13-9-15(3)18(10-14(13)2)22-12-17-8-6-5-7-16(17)11-19(21)20-4/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyXUAZHUCFOXHUDP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide

N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide (PubChem CID 129039360) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
PubChem CID129039360
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1COc1cc(C)c(C)cc1C
InChIInChI=1S/C19H23NO2/c1-13-9-15(3)18(10-14(13)2)22-12-17-8-6-5-7-16(17)11-19(21)20-4/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyXUAZHUCFOXHUDP-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone
CID 118967399
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
CID 126588250
[2-[(2,4,5-trimethylphenoxy)methyl]phenyl] methylsulfanylformate
CID 122646282
methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
CID 129039037
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465245
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide (CID 129039360) is N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide is CNC(=O)Cc1ccccc1COc1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide?
The InChIKey is XUAZHUCFOXHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-9-15(3)18(10-14(13)2)22-12-17-8-6-5-7-16(17)11-19(21)20-4/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide?
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide is sourced from PubChem (CID 129039360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).