(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride

C18H23ClN2O — CID 119326873

IUPAC(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14-7-9-15(10-8-14)11-12-20-18(21)17(19)13-16-5-3-2-4-6-16;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H/t17-;/m0./s1
InChIKeyVCMHLVVZQDPTRZ-LMOVPXPDSA-N
MW318.85 g/mol
LogP2.65
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119326873) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119326873
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14-7-9-15(10-8-14)11-12-20-18(21)17(19)13-16-5-3-2-4-6-16;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H/t17-;/m0./s1
InChIKeyVCMHLVVZQDPTRZ-LMOVPXPDSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119326873) is (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride is Cc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is VCMHLVVZQDPTRZ-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-14-7-9-15(10-8-14)11-12-20-18(21)17(19)13-16-5-3-2-4-6-16;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119326873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).