(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride

C19H25ClN2O — CID 119327513

IUPAC(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)C(C)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(17-11-7-4-8-12-17)15(2)21-19(22)18(20)13-16-9-5-3-6-10-16;/h3-12,14-15,18H,13,20H2,1-2H3,(H,21,22);1H/t14?,15?,18-;/m0./s1
InChIKeyLCXWIKJHRUWICU-ULPNAYAQSA-N
MW332.88 g/mol
LogP3.29
Rot. Bonds6

About (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride (PubChem CID 119327513) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
PubChem CID119327513
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)C(C)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(17-11-7-4-8-12-17)15(2)21-19(22)18(20)13-16-9-5-3-6-10-16;/h3-12,14-15,18H,13,20H2,1-2H3,(H,21,22);1H/t14?,15?,18-;/m0./s1
InChIKeyLCXWIKJHRUWICU-ULPNAYAQSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
CID 22811613
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride (CID 119327513) is (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride is CC(NC(=O)[C@@H](N)Cc1ccccc1)C(C)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride?
The InChIKey is LCXWIKJHRUWICU-ULPNAYAQSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-14(17-11-7-4-8-12-17)15(2)21-19(22)18(20)13-16-9-5-3-6-10-16;/h3-12,14-15,18H,13,20H2,1-2H3,(H,21,22);1H/t14?,15?,18-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119327513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).