(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide

C11H15FN2O2 — CID 82679348

IUPAC(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-8(13)11(15)14-6-7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyGPAZSDXGONKJES-QMMMGPOBSA-N
MW226.25 g/mol
LogP0.67
Rot. Bonds5

About (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide (PubChem CID 82679348) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
PubChem CID82679348
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-8(13)11(15)14-6-7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyGPAZSDXGONKJES-QMMMGPOBSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.67
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

2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100563070
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide (CID 82679348) is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide is C[C@H](N)C(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The InChIKey is GPAZSDXGONKJES-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(13)11(15)14-6-7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide?
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide has a molecular weight of 226.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 82679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).