4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide

C13H19FN2O2 — CID 119343022

IUPAC4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
SMILESCOC(CNC(=O)CCCN)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-18-12(9-16-13(17)3-2-8-15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyAUGAIFFMWZJJPZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds7

About 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide

4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide (PubChem CID 119343022) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
PubChem CID119343022
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
SMILESCOC(CNC(=O)CCCN)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-18-12(9-16-13(17)3-2-8-15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyAUGAIFFMWZJJPZ-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]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

4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111509469
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide (CID 119343022) is 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide is COC(CNC(=O)CCCN)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide?
The InChIKey is AUGAIFFMWZJJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-12(9-16-13(17)3-2-8-15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide?
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide has a molecular weight of 254.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide is sourced from PubChem (CID 119343022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).