N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide

C12H15FN2O3 — CID 60724760

IUPACN-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
SMILESNC(=O)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c13-9-3-5-10(6-4-9)18-7-1-2-12(17)15-8-11(14)16/h3-6H,1-2,7-8H2,(H2,14,16)(H,15,17)
InChIKeyLFAZSTXLWHMQOA-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.59
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide

N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 60724760) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
PubChem CID60724760
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
SMILESNC(=O)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c13-9-3-5-10(6-4-9)18-7-1-2-12(17)15-8-11(14)16/h3-6H,1-2,7-8H2,(H2,14,16)(H,15,17)
InChIKeyLFAZSTXLWHMQOA-UHFFFAOYSA-N
XLogP0.59
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenoxy)butanamide
CID 43244704
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
CID 60724668
N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
CID 66177314
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
2-[2-[4-(4-fluorophenoxy)butanoylamino]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175926768
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide (CID 60724760) is N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide is NC(=O)CNC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is LFAZSTXLWHMQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-9-3-5-10(6-4-9)18-7-1-2-12(17)15-8-11(14)16/h3-6H,1-2,7-8H2,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide?
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 254.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 60724760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).