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

C15H24N2O — CID 83306119

IUPAC(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
SMILESCC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/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)/t13-/m0/s1
InChIKeyMHNOGUKYAPYFGJ-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds5

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

(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide (PubChem CID 83306119) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
PubChem CID83306119
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
SMILESCC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/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)/t13-/m0/s1
InChIKeyMHNOGUKYAPYFGJ-ZDUSSCGKSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
(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
(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
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide (CID 83306119) is (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide is CC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide?
The InChIKey is MHNOGUKYAPYFGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/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)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.11, 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 is sourced from PubChem (CID 83306119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).