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

C14H22ClFN2O3 — CID 119321215

IUPAC(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCOCCN(CCOc1ccc(F)cc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H21FN2O3.ClH/c1-11(16)14(18)17(7-9-19-2)8-10-20-13-5-3-12(15)4-6-13;/h3-6,11H,7-10,16H2,1-2H3;1H/t11-;/m0./s1
InChIKeyRTEFDCSPWYTGFD-MERQFXBCSA-N
MW320.79 g/mol
LogP1.45
Rot. Bonds8

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

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride (PubChem CID 119321215) has the molecular formula C14H22ClFN2O3 and a molecular weight of 320.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
PubChem CID119321215
Molecular FormulaC14H22ClFN2O3
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCOCCN(CCOc1ccc(F)cc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H21FN2O3.ClH/c1-11(16)14(18)17(7-9-19-2)8-10-20-13-5-3-12(15)4-6-13;/h3-6,11H,7-10,16H2,1-2H3;1H/t11-;/m0./s1
InChIKeyRTEFDCSPWYTGFD-MERQFXBCSA-N
XLogP1.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-2-(methylamino)acetamide
CID 119779578
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
CID 55739528
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 119321222
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 119314780
methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60681956
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 119779579
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 166259528
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 71857042
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride (CID 119321215) is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride is COCCN(CCOc1ccc(F)cc1)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride?
The InChIKey is RTEFDCSPWYTGFD-MERQFXBCSA-N. The full InChI is InChI=1S/C14H21FN2O3.ClH/c1-11(16)14(18)17(7-9-19-2)8-10-20-13-5-3-12(15)4-6-13;/h3-6,11H,7-10,16H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride has a molecular weight of 320.79 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 119321215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).