2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C15H20N2O3 — CID 103945669

IUPAC2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C15H20N2O3/c1-3-15(2,8-9-18)17-14(19)11-20-13-7-5-4-6-12(13)10-16/h4-7,18H,3,8-9,11H2,1-2H3,(H,17,19)
InChIKeyQZOKGMCWMGDYLH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 103945669) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID103945669
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C15H20N2O3/c1-3-15(2,8-9-18)17-14(19)11-20-13-7-5-4-6-12(13)10-16/h4-7,18H,3,8-9,11H2,1-2H3,(H,17,19)
InChIKeyQZOKGMCWMGDYLH-UHFFFAOYSA-N
XLogP1.60
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103945627
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945468
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4850375

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 103945669) is 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is QZOKGMCWMGDYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-15(2,8-9-18)17-14(19)11-20-13-7-5-4-6-12(13)10-16/h4-7,18H,3,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103945669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).