N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide

C14H17FN2O2 — CID 60554110

IUPACN-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
SMILESCN(CCC#N)C(=O)CCCOc1ccccc1F
InChIInChI=1S/C14H17FN2O2/c1-17(10-5-9-16)14(18)8-4-11-19-13-7-3-2-6-12(13)15/h2-3,6-7H,4-5,8,10-11H2,1H3
InChIKeyPBYPCEZKHFITON-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.36
Rot. Bonds7

About N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide

N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide (PubChem CID 60554110) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
PubChem CID60554110
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
SMILESCN(CCC#N)C(=O)CCCOc1ccccc1F
InChIInChI=1S/C14H17FN2O2/c1-17(10-5-9-16)14(18)8-4-11-19-13-7-3-2-6-12(13)15/h2-3,6-7H,4-5,8,10-11H2,1H3
InChIKeyPBYPCEZKHFITON-UHFFFAOYSA-N
XLogP2.36
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-[[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]-methylamino]propanenitrile
CID 35431939
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86822663
N'-(2-cyanoethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]-N'-phenylbutanediamide
CID 56577605
3-(4-bromo-3-fluorophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 65203657
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
4-(2-fluorophenoxy)butan-2-one
CID 28948853
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
CID 107658067

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide (CID 60554110) is N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide is CN(CCC#N)C(=O)CCCOc1ccccc1F.
What is the InChIKey of N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide?
The InChIKey is PBYPCEZKHFITON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-17(10-5-9-16)14(18)8-4-11-19-13-7-3-2-6-12(13)15/h2-3,6-7H,4-5,8,10-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide?
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide has a molecular weight of 264.30 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 60554110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).