(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide

C15H21F3N2O — CID 104984699

IUPAC(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)10-4-5-11-20-14(21)13(19)9-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,19H2,(H,20,21)/t13-/m0/s1
InChIKeyWLSYJKGCDWRWIW-ZDUSSCGKSA-N
MW302.34 g/mol
LogP2.80
Rot. Bonds8

About (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide

(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide (PubChem CID 104984699) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
PubChem CID104984699
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)10-4-5-11-20-14(21)13(19)9-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,19H2,(H,20,21)/t13-/m0/s1
InChIKeyWLSYJKGCDWRWIW-ZDUSSCGKSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
2-amino-N-[3-(methanesulfonamido)propyl]-4-phenylbutanamide
CID 106336413
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide (CID 104984699) is (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide is N[C@@H](CCc1ccccc1)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide?
The InChIKey is WLSYJKGCDWRWIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)10-4-5-11-20-14(21)13(19)9-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,19H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide?
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide has a molecular weight of 302.34 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide is sourced from PubChem (CID 104984699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).