(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide

C14H19F3N2O — CID 115519520

IUPAC(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)8-4-5-9-19-13(20)12(18)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,18H2,(H,19,20)/t12-/m0/s1
InChIKeyMJDTUPJNMFJNDO-LBPRGKRZSA-N
MW288.31 g/mol
LogP2.41
Rot. Bonds7

About (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide

(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide (PubChem CID 115519520) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
PubChem CID115519520
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)8-4-5-9-19-13(20)12(18)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,18H2,(H,19,20)/t12-/m0/s1
InChIKeyMJDTUPJNMFJNDO-LBPRGKRZSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
CID 104984699
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide (CID 115519520) is (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide is N[C@@H](Cc1ccccc1)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide?
The InChIKey is MJDTUPJNMFJNDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)8-4-5-9-19-13(20)12(18)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,18H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide?
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.41, 7 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-(5,5,5-trifluoropentyl)propanamide is sourced from PubChem (CID 115519520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).