(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride

C15H25ClN2O — CID 119279534

IUPAC(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-15(2,3)9-10-17-14(18)13(16)11-12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3,(H,17,18);1H/t13-;/m0./s1
InChIKeyWQYONWZFFGMXDA-ZOWNYOTGSA-N
MW284.83 g/mol
LogP2.53
Rot. Bonds5

About (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119279534) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
PubChem CID119279534
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-15(2,3)9-10-17-14(18)13(16)11-12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3,(H,17,18);1H/t13-;/m0./s1
InChIKeyWQYONWZFFGMXDA-ZOWNYOTGSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
CID 167585610
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(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
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride (CID 119279534) is (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride is CC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is WQYONWZFFGMXDA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-15(2,3)9-10-17-14(18)13(16)11-12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3,(H,17,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119279534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).