2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide

C14H21NO3 — CID 62334574

IUPAC2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCc1ccc(OCC(=O)N(C)CC(C)O)c(C)c1
InChIInChI=1S/C14H21NO3/c1-10-5-6-13(11(2)7-10)18-9-14(17)15(4)8-12(3)16/h5-7,12,16H,8-9H2,1-4H3
InChIKeyONTVYRKAFAOKRI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.52
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide

2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62334574) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62334574
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCc1ccc(OCC(=O)N(C)CC(C)O)c(C)c1
InChIInChI=1S/C14H21NO3/c1-10-5-6-13(11(2)7-10)18-9-14(17)15(4)8-12(3)16/h5-7,12,16H,8-9H2,1-4H3
InChIKeyONTVYRKAFAOKRI-UHFFFAOYSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119655468
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
CID 62334596
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18157857
N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide (CID 62334574) is 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide is Cc1ccc(OCC(=O)N(C)CC(C)O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is ONTVYRKAFAOKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-6-13(11(2)7-10)18-9-14(17)15(4)8-12(3)16/h5-7,12,16H,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).