(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride

C14H21ClN2O — CID 119305394

IUPAC(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(CCc1ccccc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13;/h3-8,12H,1,9-11,15H2,2H3;1H/t12-;/m0./s1
InChIKeyMFJLMSPCFGIOMZ-YDALLXLXSA-N
MW268.79 g/mol
LogP2.01
Rot. Bonds6

About (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride

(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride (PubChem CID 119305394) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
PubChem CID119305394
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(CCc1ccccc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13;/h3-8,12H,1,9-11,15H2,2H3;1H/t12-;/m0./s1
InChIKeyMFJLMSPCFGIOMZ-YDALLXLXSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
2-(2-aminoethyl)-N-(2-phenylethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 120626005
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride (CID 119305394) is (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride is C=CCN(CCc1ccccc1)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
The InChIKey is MFJLMSPCFGIOMZ-YDALLXLXSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13;/h3-8,12H,1,9-11,15H2,2H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride?
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride is sourced from PubChem (CID 119305394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).