2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide

C13H19NO3 — CID 43419021

IUPAC2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NC(C)CO
InChIInChI=1S/C13H19NO3/c1-9-5-4-6-10(2)13(9)17-8-12(16)14-11(3)7-15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyWTWVSPFJSOAMIJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.18
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 43419021) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID43419021
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NC(C)CO
InChIInChI=1S/C13H19NO3/c1-9-5-4-6-10(2)13(9)17-8-12(16)14-11(3)7-15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyWTWVSPFJSOAMIJ-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2789933
2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
2-[4-(benzyloxy)phenoxy]-N-ethylacetamide
CID 1257662
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24816973
N-[2-(2-Propylphenoxy)ethyl]acetamide
CID 559346
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
N-ethyl-2-(4-ethylphenoxy)acetamide
CID 3474705
N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide
CID 74929448

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide (CID 43419021) is 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide is Cc1cccc(C)c1OCC(=O)NC(C)CO.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is WTWVSPFJSOAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-4-6-10(2)13(9)17-8-12(16)14-11(3)7-15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 43419021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).