2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide

C17H21F3N2O3 — CID 101192443

IUPAC2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide
SMILESCC(=O)NC(C(=O)NCC(C(=O)C(F)(F)F)c1ccccc1)C(C)C
InChIInChI=1S/C17H21F3N2O3/c1-10(2)14(22-11(3)23)16(25)21-9-13(15(24)17(18,19)20)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyRZFGDFREBQYVQV-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.18
Rot. Bonds7

About 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide

2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide (PubChem CID 101192443) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide
PubChem CID101192443
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide
SMILESCC(=O)NC(C(=O)NCC(C(=O)C(F)(F)F)c1ccccc1)C(C)C
InChIInChI=1S/C17H21F3N2O3/c1-10(2)14(22-11(3)23)16(25)21-9-13(15(24)17(18,19)20)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyRZFGDFREBQYVQV-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-2-phenylpropanoic acid
CID 119255010
(2S)-2-acetamido-3-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[(4,4,4-trifluoro-3-oxobutan-2-yl)amino]propan-2-yl]amino]butan-2-yl]butanamide
CID 10530197
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
CID 65224075
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
(2R)-2-acetamido-3-methyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 138009138
N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
CID 24637576
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 3082654
[(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2117468

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide (CID 101192443) is 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide is CC(=O)NC(C(=O)NCC(C(=O)C(F)(F)F)c1ccccc1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide?
The InChIKey is RZFGDFREBQYVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-10(2)14(22-11(3)23)16(25)21-9-13(15(24)17(18,19)20)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide?
2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide has a molecular weight of 358.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-(4,4,4-trifluoro-3-oxo-2-phenylbutyl)butanamide is sourced from PubChem (CID 101192443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).