(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride

C17H19ClN2O2 — CID 14837118

IUPAC(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C17H18N2O2.ClH/c1-12(20)14-7-9-15(10-8-14)19-17(21)16(18)11-13-5-3-2-4-6-13;/h2-10,16H,11,18H2,1H3,(H,19,21);1H/t16-;/m0./s1
InChIKeyYHIJQFCEDVCTKM-NTISSMGPSA-N
MW318.80 g/mol
LogP2.82
Rot. Bonds5

About (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride

(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride (PubChem CID 14837118) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
PubChem CID14837118
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C17H18N2O2.ClH/c1-12(20)14-7-9-15(10-8-14)19-17(21)16(18)11-13-5-3-2-4-6-13;/h2-10,16H,11,18H2,1H3,(H,19,21);1H/t16-;/m0./s1
InChIKeyYHIJQFCEDVCTKM-NTISSMGPSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
ethyl 3-(4-acetylanilino)-2-benzyl-3-oxopropanoate
CID 2899809
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride (CID 14837118) is (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride is CC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride?
The InChIKey is YHIJQFCEDVCTKM-NTISSMGPSA-N. The full InChI is InChI=1S/C17H18N2O2.ClH/c1-12(20)14-7-9-15(10-8-14)19-17(21)16(18)11-13-5-3-2-4-6-13;/h2-10,16H,11,18H2,1H3,(H,19,21);1H/t16-;/m0./s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride?
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 14837118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).