2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide

C16H22N2O2 — CID 65471517

IUPAC2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1c(C)cc(C#N)cc1C
InChIInChI=1S/C16H22N2O2/c1-6-18(7-2)16(19)13(5)20-15-11(3)8-14(10-17)9-12(15)4/h8-9,13H,6-7H2,1-5H3
InChIKeyYSFBUCIAHWIHSQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide

2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide (PubChem CID 65471517) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide
PubChem CID65471517
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1c(C)cc(C#N)cc1C
InChIInChI=1S/C16H22N2O2/c1-6-18(7-2)16(19)13(5)20-15-11(3)8-14(10-17)9-12(15)4/h8-9,13H,6-7H2,1-5H3
InChIKeyYSFBUCIAHWIHSQ-UHFFFAOYSA-N
XLogP2.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide (CID 65471517) is 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1c(C)cc(C#N)cc1C.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide?
The InChIKey is YSFBUCIAHWIHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-18(7-2)16(19)13(5)20-15-11(3)8-14(10-17)9-12(15)4/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide?
2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 65471517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).