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

C17H21ClN2O — CID 21308260

IUPAC(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H20N2O.ClH/c18-16(13-15-9-5-2-6-10-15)17(20)19-12-11-14-7-3-1-4-8-14;/h1-10,16H,11-13,18H2,(H,19,20);1H/t16-;/m0./s1
InChIKeyLWIKUUMUASQVGI-NTISSMGPSA-N
MW304.82 g/mol
LogP2.34
Rot. Bonds6

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

(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 21308260) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID21308260
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H20N2O.ClH/c18-16(13-15-9-5-2-6-10-15)17(20)19-12-11-14-7-3-1-4-8-14;/h1-10,16H,11-13,18H2,(H,19,20);1H/t16-;/m0./s1
InChIKeyLWIKUUMUASQVGI-NTISSMGPSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
(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
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119293831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride (CID 21308260) is (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is LWIKUUMUASQVGI-NTISSMGPSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c18-16(13-15-9-5-2-6-10-15)17(20)19-12-11-14-7-3-1-4-8-14;/h1-10,16H,11-13,18H2,(H,19,20);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 2.34, 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-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 21308260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).