2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C13H18ClNO3 — CID 79290860

IUPAC2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-13(2,17)9-15(3)12(16)8-18-11-6-4-10(14)5-7-11/h4-7,17H,8-9H2,1-3H3
InChIKeyLOKUROINAXUFGY-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 79290860) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID79290860
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-13(2,17)9-15(3)12(16)8-18-11-6-4-10(14)5-7-11/h4-7,17H,8-9H2,1-3H3
InChIKeyLOKUROINAXUFGY-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
CID 79266477
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
CID 110733008
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-bromo-2-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380862
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide
CID 68818842

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 79290860) is 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is CN(CC(C)(C)O)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is LOKUROINAXUFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-13(2,17)9-15(3)12(16)8-18-11-6-4-10(14)5-7-11/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 271.74 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 79290860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).