(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide

C16H22F3NO2 — CID 97339946

IUPAC(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
SMILESC[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-11(14(2,3)4)20-13(21)10-15(22,16(17,18)19)12-8-6-5-7-9-12/h5-9,11,22H,10H2,1-4H3,(H,20,21)/t11-,15-/m0/s1
InChIKeyWAOWXOBFJFNNLU-NHYWBVRUSA-N
MW317.35 g/mol
LogP3.38
Rot. Bonds4

About (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide

(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide (PubChem CID 97339946) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
PubChem CID97339946
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
SMILESC[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-11(14(2,3)4)20-13(21)10-15(22,16(17,18)19)12-8-6-5-7-9-12/h5-9,11,22H,10H2,1-4H3,(H,20,21)/t11-,15-/m0/s1
InChIKeyWAOWXOBFJFNNLU-NHYWBVRUSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide 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

N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide
CID 26006891
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 8865880
(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
CID 119769269
2-[[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 146209918
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028
(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
CID 2250954
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide
CID 124725022

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
The IUPAC name of (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide (CID 97339946) is (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide is C[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
The InChIKey is WAOWXOBFJFNNLU-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-11(14(2,3)4)20-13(21)10-15(22,16(17,18)19)12-8-6-5-7-9-12/h5-9,11,22H,10H2,1-4H3,(H,20,21)/t11-,15-/m0/s1.
What are the key properties of (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide has a molecular weight of 317.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 97339946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).