2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide

C14H20ClNO3 — CID 107202077

IUPAC2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)COc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-16(9-5-2-6-10-17)14(18)11-19-13-8-4-3-7-12(13)15/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyVAWCUEMRHLAULM-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.34
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide

2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107202077) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107202077
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)COc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-16(9-5-2-6-10-17)14(18)11-19-13-8-4-3-7-12(13)15/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyVAWCUEMRHLAULM-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202681
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202418
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 60652730
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
CID 19384713
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107202077) is 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide is CN(CCCCCO)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is VAWCUEMRHLAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-16(9-5-2-6-10-17)14(18)11-19-13-8-4-3-7-12(13)15/h3-4,7-8,17H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 285.77 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107202077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).