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

C16H25FN2O2 — CID 119640920

IUPACN-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
SMILESCCC(N)(CC)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-3-16(18,4-2)12-19-15(20)6-5-11-21-14-9-7-13(17)8-10-14/h7-10H,3-6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyUBTQHHLUTKPOJR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds9

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

N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 119640920) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
PubChem CID119640920
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
SMILESCCC(N)(CC)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-3-16(18,4-2)12-19-15(20)6-5-11-21-14-9-7-13(17)8-10-14/h7-10H,3-6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyUBTQHHLUTKPOJR-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide 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

N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119642937
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
4-(4-fluorophenoxy)butanamide
CID 43244704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide (CID 119640920) is N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide is CCC(N)(CC)CNC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is UBTQHHLUTKPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-16(18,4-2)12-19-15(20)6-5-11-21-14-9-7-13(17)8-10-14/h7-10H,3-6,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide?
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 296.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 119640920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).