(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride

C20H27ClN2O — CID 119308133

IUPAC(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cccc(C(C)(C)CNC(=O)[C@@H](N)Cc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-15-8-7-11-17(12-15)20(2,3)14-22-19(23)18(21)13-16-9-5-4-6-10-16;/h4-12,18H,13-14,21H2,1-3H3,(H,22,23);1H/t18-;/m0./s1
InChIKeyQSUWWUBSFWZOLX-FERBBOLQSA-N
MW346.90 g/mol
LogP3.38
Rot. Bonds6

About (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119308133) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119308133
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cccc(C(C)(C)CNC(=O)[C@@H](N)Cc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-15-8-7-11-17(12-15)20(2,3)14-22-19(23)18(21)13-16-9-5-4-6-10-16;/h4-12,18H,13-14,21H2,1-3H3,(H,22,23);1H/t18-;/m0./s1
InChIKeyQSUWWUBSFWZOLX-FERBBOLQSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
CID 20706030
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride (CID 119308133) is (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride is Cc1cccc(C(C)(C)CNC(=O)[C@@H](N)Cc2ccccc2)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is QSUWWUBSFWZOLX-FERBBOLQSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-15-8-7-11-17(12-15)20(2,3)14-22-19(23)18(21)13-16-9-5-4-6-10-16;/h4-12,18H,13-14,21H2,1-3H3,(H,22,23);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.38, 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-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119308133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).