2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C13H17Cl2NO3 — CID 79291699

IUPAC2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-13(2,18)8-16(3)12(17)7-19-11-5-4-9(14)6-10(11)15/h4-6,18H,7-8H2,1-3H3
InChIKeyUIBOMOSJWVHUQT-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.60
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 79291699) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID79291699
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-13(2,18)8-16(3)12(17)7-19-11-5-4-9(14)6-10(11)15/h4-6,18H,7-8H2,1-3H3
InChIKeyUIBOMOSJWVHUQT-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380862
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119655726
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 79291699) is 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is CN(CC(C)(C)O)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is UIBOMOSJWVHUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-13(2,18)8-16(3)12(17)7-19-11-5-4-9(14)6-10(11)15/h4-6,18H,7-8H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 306.19 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 79291699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).