(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride

C19H25ClN2O — CID 119266895

IUPAC(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-3-15-9-11-17(12-10-15)14-21(2)19(22)18(20)13-16-7-5-4-6-8-16;/h4-12,18H,3,13-14,20H2,1-2H3;1H/t18-;/m0./s1
InChIKeyYXIVYKJCUQLJGG-FERBBOLQSA-N
MW332.88 g/mol
LogP3.20
Rot. Bonds6

About (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119266895) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119266895
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-3-15-9-11-17(12-10-15)14-21(2)19(22)18(20)13-16-7-5-4-6-8-16;/h4-12,18H,3,13-14,20H2,1-2H3;1H/t18-;/m0./s1
InChIKeyYXIVYKJCUQLJGG-FERBBOLQSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116849043
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119896831
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride (CID 119266895) is (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride is CCc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is YXIVYKJCUQLJGG-FERBBOLQSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-3-15-9-11-17(12-10-15)14-21(2)19(22)18(20)13-16-7-5-4-6-8-16;/h4-12,18H,3,13-14,20H2,1-2H3;1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.20, 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-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119266895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).