2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C16H25NO3 — CID 103945468

IUPAC2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO3/c1-5-16(4,6-7-18)17-15(19)11-20-14-9-12(2)8-13(3)10-14/h8-10,18H,5-7,11H2,1-4H3,(H,17,19)
InChIKeyMIUMBGOEZIACFH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 103945468) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID103945468
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO3/c1-5-16(4,6-7-18)17-15(19)11-20-14-9-12(2)8-13(3)10-14/h8-10,18H,5-7,11H2,1-4H3,(H,17,19)
InChIKeyMIUMBGOEZIACFH-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103945627
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945669
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(5-chloro-2-methoxyphenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945956
N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 103945749
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 103945468) is 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is MIUMBGOEZIACFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-16(4,6-7-18)17-15(19)11-20-14-9-12(2)8-13(3)10-14/h8-10,18H,5-7,11H2,1-4H3,(H,17,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103945468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).