3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide

C17H27NO3 — CID 65113922

IUPAC3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCOc1ccc(C)cc1C
InChIInChI=1S/C17H27NO3/c1-5-17(20,6-2)12-18-16(19)9-10-21-15-8-7-13(3)11-14(15)4/h7-8,11,20H,5-6,9-10,12H2,1-4H3,(H,18,19)
InChIKeyOGHZNVPKHWXREO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.74
Rot. Bonds8

About 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide

3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide (PubChem CID 65113922) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
PubChem CID65113922
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCOc1ccc(C)cc1C
InChIInChI=1S/C17H27NO3/c1-5-17(20,6-2)12-18-16(19)9-10-21-15-8-7-13(3)11-14(15)4/h7-8,11,20H,5-6,9-10,12H2,1-4H3,(H,18,19)
InChIKeyOGHZNVPKHWXREO-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599
3-(2,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730620
3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771125
N-(2-amino-2-ethylbutyl)-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
CID 119643302
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
3-(2,4-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341084
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide (CID 65113922) is 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide is CCC(O)(CC)CNC(=O)CCOc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The InChIKey is OGHZNVPKHWXREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-17(20,6-2)12-18-16(19)9-10-21-15-8-7-13(3)11-14(15)4/h7-8,11,20H,5-6,9-10,12H2,1-4H3,(H,18,19).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide is sourced from PubChem (CID 65113922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).