(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride

C12H19ClN2O — CID 119314932

IUPAC(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCN(C)C(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-14(2)12(15)11(13)9-10-7-5-4-6-8-10;/h4-8,11H,3,9,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyJNDCXPDHNLMZEN-MERQFXBCSA-N
MW242.75 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119314932) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119314932
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCN(C)C(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-14(2)12(15)11(13)9-10-7-5-4-6-8-10;/h4-8,11H,3,9,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyJNDCXPDHNLMZEN-MERQFXBCSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43271352
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CID 78984867
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
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(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
(2S)-2-amino-N-hept-6-enyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119328123
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-ethyl-N-methylpropanamide
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CID 55150348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride (CID 119314932) is (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride is CCN(C)C(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is JNDCXPDHNLMZEN-MERQFXBCSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-14(2)12(15)11(13)9-10-7-5-4-6-8-10;/h4-8,11H,3,9,13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119314932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).