2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide

C13H20N2O2 — CID 43276717

IUPAC2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
SMILESCCNCc1cc(C)c(OCC(N)=O)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-15-7-11-5-9(2)13(10(3)6-11)17-8-12(14)16/h5-6,15H,4,7-8H2,1-3H3,(H2,14,16)
InChIKeyYCVQBKYCPBVSMP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.28
Rot. Bonds6

About 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide

2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide (PubChem CID 43276717) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
PubChem CID43276717
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
SMILESCCNCc1cc(C)c(OCC(N)=O)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-15-7-11-5-9(2)13(10(3)6-11)17-8-12(14)16/h5-6,15H,4,7-8H2,1-3H3,(H2,14,16)
InChIKeyYCVQBKYCPBVSMP-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
3-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-methylpropanamide
CID 62326548
N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936905
ethyl 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetate
CID 107742173
ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
CID 64668112
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311867
N-[[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721959
2-[4-bromo-2-methyl-6-(propylaminomethyl)phenoxy]acetamide
CID 112620264
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide (CID 43276717) is 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide is CCNCc1cc(C)c(OCC(N)=O)c(C)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
The InChIKey is YCVQBKYCPBVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15-7-11-5-9(2)13(10(3)6-11)17-8-12(14)16/h5-6,15H,4,7-8H2,1-3H3,(H2,14,16).
What are the key properties of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide is sourced from PubChem (CID 43276717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).