2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide

C28H32F3N3O4 — CID 22284374

IUPAC2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
SMILESCCC(C)C1C(=O)N(CC(=O)NC(Cc2ccccc2)C(O)C(F)(F)F)C(c2ccccc2)=CN1C(C)=O
InChIInChI=1S/C28H32F3N3O4/c1-4-18(2)25-27(38)34(23(16-33(25)19(3)35)21-13-9-6-10-14-21)17-24(36)32-22(26(37)28(29,30)31)15-20-11-7-5-8-12-20/h5-14,16,18,22,25-26,37H,4,15,17H2,1-3H3,(H,32,36)
InChIKeyGEMFFMLIIGCSAB-UHFFFAOYSA-N
MW531.58 g/mol
LogP3.74
Rot. Bonds9

About 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide

2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide (PubChem CID 22284374) has the molecular formula C28H32F3N3O4 and a molecular weight of 531.58 g/mol. Its IUPAC name is 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
PubChem CID22284374
Molecular FormulaC28H32F3N3O4
Molecular Weight531.58 g/mol
Exact Mass531.23
IUPAC Name2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
SMILESCCC(C)C1C(=O)N(CC(=O)NC(Cc2ccccc2)C(O)C(F)(F)F)C(c2ccccc2)=CN1C(C)=O
InChIInChI=1S/C28H32F3N3O4/c1-4-18(2)25-27(38)34(23(16-33(25)19(3)35)21-13-9-6-10-14-21)17-24(36)32-22(26(37)28(29,30)31)15-20-11-7-5-8-12-20/h5-14,16,18,22,25-26,37H,4,15,17H2,1-3H3,(H,32,36)
InChIKeyGEMFFMLIIGCSAB-UHFFFAOYSA-N
XLogP3.74
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide with MolForge

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Related Compounds

2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-4-dimethylsilyloxy-3-hydroxy-5,5-dimethyl-1-phenylhexan-2-yl]acetamide
CID 173208427
methyl (2S)-2-[[2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetyl]amino]-3-phenylpropanoate
CID 86759893
2-(1-benzoyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-(4,4,5,5,6,6,6-heptafluoro-3-oxo-1-phenylhexan-2-yl)acetamide
CID 22736137
2-[(2S)-1-formyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
CID 87979021
2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
CID 87979058
N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide
CID 142653564
N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
CID 150398217
1-acetyl-4-(4-amino-3-benzyl-5,5,5-trifluoro-4-hydroxy-2-oxopentyl)-2-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-5-phenyl-2H-pyrazin-3-one
CID 173224243
2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid
CID 22284329
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 151166410
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 150682020
N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
CID 87978684

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide (CID 22284374) is 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide is CCC(C)C1C(=O)N(CC(=O)NC(Cc2ccccc2)C(O)C(F)(F)F)C(c2ccccc2)=CN1C(C)=O.
What is the InChIKey of 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
The InChIKey is GEMFFMLIIGCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O4/c1-4-18(2)25-27(38)34(23(16-33(25)19(3)35)21-13-9-6-10-14-21)17-24(36)32-22(26(37)28(29,30)31)15-20-11-7-5-8-12-20/h5-14,16,18,22,25-26,37H,4,15,17H2,1-3H3,(H,32,36).
What are the key properties of 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide has a molecular weight of 531.58 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 22284374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).