2-(4-cyanophenoxy)-N,N-diethylpropanamide

C14H18N2O2 — CID 43083146

IUPAC2-(4-cyanophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-4-16(5-2)14(17)11(3)18-13-8-6-12(10-15)7-9-13/h6-9,11H,4-5H2,1-3H3
InChIKeyVCGMCRBOWVBYEU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-cyanophenoxy)-N,N-diethylpropanamide

2-(4-cyanophenoxy)-N,N-diethylpropanamide (PubChem CID 43083146) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N,N-diethylpropanamide
PubChem CID43083146
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(4-cyanophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-4-16(5-2)14(17)11(3)18-13-8-6-12(10-15)7-9-13/h6-9,11H,4-5H2,1-3H3
InChIKeyVCGMCRBOWVBYEU-UHFFFAOYSA-N
XLogP2.19
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide
CID 65471517
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide
CID 16552134
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N,N-diethylpropanamide (CID 43083146) is 2-(4-cyanophenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N,N-diethylpropanamide?
The InChIKey is VCGMCRBOWVBYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16(5-2)14(17)11(3)18-13-8-6-12(10-15)7-9-13/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-(4-cyanophenoxy)-N,N-diethylpropanamide?
2-(4-cyanophenoxy)-N,N-diethylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 43083146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).