2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C18H21NO3 — CID 110884930

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2cccc(CO)c2)c(C)c1
InChIInChI=1S/C18H21NO3/c1-12-7-13(2)18(14(3)8-12)19-17(21)11-22-16-6-4-5-15(9-16)10-20/h4-9,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyAVUVCXAHHMHSOS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds5

About 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 110884930) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID110884930
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2cccc(CO)c2)c(C)c1
InChIInChI=1S/C18H21NO3/c1-12-7-13(2)18(14(3)8-12)19-17(21)11-22-16-6-4-5-15(9-16)10-20/h4-9,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyAVUVCXAHHMHSOS-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 110884930) is 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2cccc(CO)c2)c(C)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is AVUVCXAHHMHSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-13(2)18(14(3)8-12)19-17(21)11-22-16-6-4-5-15(9-16)10-20/h4-9,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 110884930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).