N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride

C13H20ClFN2O2 — CID 119522331

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCOc1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-13(2,9-15)16-12(17)7-8-18-11-5-3-10(14)4-6-11;/h3-6H,7-9,15H2,1-2H3,(H,16,17);1H
InChIKeyKVISZMFALXXTNS-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.87
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride (PubChem CID 119522331) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
PubChem CID119522331
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCOc1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-13(2,9-15)16-12(17)7-8-18-11-5-3-10(14)4-6-11;/h3-6H,7-9,15H2,1-2H3,(H,16,17);1H
InChIKeyKVISZMFALXXTNS-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride 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-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618706
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 119522166
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
CID 119521510
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride (CID 119522331) is N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride is CC(C)(CN)NC(=O)CCOc1ccc(F)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride?
The InChIKey is KVISZMFALXXTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-13(2,9-15)16-12(17)7-8-18-11-5-3-10(14)4-6-11;/h3-6H,7-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119522331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).