3-(3-cyanophenoxy)-2-methylpropanamide

C11H12N2O2 — CID 43312194

IUPAC3-(3-cyanophenoxy)-2-methylpropanamide
SMILESCC(COc1cccc(C#N)c1)C(N)=O
InChIInChI=1S/C11H12N2O2/c1-8(11(13)14)7-15-10-4-2-3-9(5-10)6-12/h2-5,8H,7H2,1H3,(H2,13,14)
InChIKeyYXQCJHHKNXLPEW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.06
Rot. Bonds4

About 3-(3-cyanophenoxy)-2-methylpropanamide

3-(3-cyanophenoxy)-2-methylpropanamide (PubChem CID 43312194) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(3-cyanophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-cyanophenoxy)-2-methylpropanamide
PubChem CID43312194
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(3-cyanophenoxy)-2-methylpropanamide
SMILESCC(COc1cccc(C#N)c1)C(N)=O
InChIInChI=1S/C11H12N2O2/c1-8(11(13)14)7-15-10-4-2-3-9(5-10)6-12/h2-5,8H,7H2,1H3,(H2,13,14)
InChIKeyYXQCJHHKNXLPEW-UHFFFAOYSA-N
XLogP1.06
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-cyanophenoxy)-2-methylpropanamide 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

3-(2,4-dimethyl-3-oxopentoxy)benzonitrile;ethane
CID 178167710
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
ethane;3-(4-methyl-3-oxo-2-propan-2-ylpentoxy)benzonitrile
CID 178167745
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
3-(2-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
3-(3,3,3-trifluoro-2-hydroxypropoxy)benzonitrile
CID 63901285
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
3-[2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]benzonitrile
CID 43288704
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
3-(1-hydroxypropan-2-yloxy)benzonitrile
CID 126975960
3-(1-aminopropan-2-yloxy)benzonitrile
CID 82224541

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenoxy)-2-methylpropanamide?
The IUPAC name of 3-(3-cyanophenoxy)-2-methylpropanamide (CID 43312194) is 3-(3-cyanophenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(3-cyanophenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(3-cyanophenoxy)-2-methylpropanamide is CC(COc1cccc(C#N)c1)C(N)=O.
What is the InChIKey of 3-(3-cyanophenoxy)-2-methylpropanamide?
The InChIKey is YXQCJHHKNXLPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(11(13)14)7-15-10-4-2-3-9(5-10)6-12/h2-5,8H,7H2,1H3,(H2,13,14).
What are the key properties of 3-(3-cyanophenoxy)-2-methylpropanamide?
3-(3-cyanophenoxy)-2-methylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenoxy)-2-methylpropanamide is sourced from PubChem (CID 43312194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).