2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide

C13H17F3N2O2 — CID 114350635

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)6-1-7-18-12(20)11(17)8-9-2-4-10(19)5-3-9/h2-5,11,19H,1,6-8,17H2,(H,18,20)
InChIKeyIOFDKAHWIFRLFB-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide (PubChem CID 114350635) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
PubChem CID114350635
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)6-1-7-18-12(20)11(17)8-9-2-4-10(19)5-3-9/h2-5,11,19H,1,6-8,17H2,(H,18,20)
InChIKeyIOFDKAHWIFRLFB-UHFFFAOYSA-N
XLogP1.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)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-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide (CID 114350635) is 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide?
The InChIKey is IOFDKAHWIFRLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)6-1-7-18-12(20)11(17)8-9-2-4-10(19)5-3-9/h2-5,11,19H,1,6-8,17H2,(H,18,20).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide has a molecular weight of 290.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide is sourced from PubChem (CID 114350635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).