2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide

C17H27NO3 — CID 103725510

IUPAC2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)COc1cccc(C)c1C
InChIInChI=1S/C17H27NO3/c1-4-6-15(9-10-19)11-18-17(20)12-21-16-8-5-7-13(2)14(16)3/h5,7-8,15,19H,4,6,9-12H2,1-3H3,(H,18,20)
InChIKeyYJTKJEIIPDOKSK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds9

About 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725510) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725510
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)COc1cccc(C)c1C
InChIInChI=1S/C17H27NO3/c1-4-6-15(9-10-19)11-18-17(20)12-21-16-8-5-7-13(2)14(16)3/h5,7-8,15,19H,4,6,9-12H2,1-3H3,(H,18,20)
InChIKeyYJTKJEIIPDOKSK-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725719
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 45155077
N-[2-(2-hydroxyethyl)pentyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 103725725
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-(2,6-dimethylphenoxy)-N-(2-ethylbutyl)acetamide
CID 115612647
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899529

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725510) is 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)COc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is YJTKJEIIPDOKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-6-15(9-10-19)11-18-17(20)12-21-16-8-5-7-13(2)14(16)3/h5,7-8,15,19H,4,6,9-12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).