N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide

C30H32F3N3O4 — CID 151531784

IUPACN-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)(C(=O)C(F)(F)F)N1C(=O)C(C2CCCCC2)N(C(C)=O)C=C1c1ccccc1
InChIInChI=1S/C30H32F3N3O4/c1-20(37)34-29(28(40)30(31,32)33,18-22-12-6-3-7-13-22)36-25(23-14-8-4-9-15-23)19-35(21(2)38)26(27(36)39)24-16-10-5-11-17-24/h3-4,6-9,12-15,19,24,26H,5,10-11,16-18H2,1-2H3,(H,34,37)
InChIKeyPWQATBVKYCFONT-UHFFFAOYSA-N
MW555.60 g/mol
LogP4.83
Rot. Bonds7

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

N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 151531784) has the molecular formula C30H32F3N3O4 and a molecular weight of 555.60 g/mol. Its IUPAC name is N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID151531784
Molecular FormulaC30H32F3N3O4
Molecular Weight555.60 g/mol
Exact Mass555.23
IUPAC NameN-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)(C(=O)C(F)(F)F)N1C(=O)C(C2CCCCC2)N(C(C)=O)C=C1c1ccccc1
InChIInChI=1S/C30H32F3N3O4/c1-20(37)34-29(28(40)30(31,32)33,18-22-12-6-3-7-13-22)36-25(23-14-8-4-9-15-23)19-35(21(2)38)26(27(36)39)24-16-10-5-11-17-24/h3-4,6-9,12-15,19,24,26H,5,10-11,16-18H2,1-2H3,(H,34,37)
InChIKeyPWQATBVKYCFONT-UHFFFAOYSA-N
XLogP4.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide (CID 151531784) is N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)NC(Cc1ccccc1)(C(=O)C(F)(F)F)N1C(=O)C(C2CCCCC2)N(C(C)=O)C=C1c1ccccc1.
What is the InChIKey of N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is PWQATBVKYCFONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O4/c1-20(37)34-29(28(40)30(31,32)33,18-22-12-6-3-7-13-22)36-25(23-14-8-4-9-15-23)19-35(21(2)38)26(27(36)39)24-16-10-5-11-17-24/h3-4,6-9,12-15,19,24,26H,5,10-11,16-18H2,1-2H3,(H,34,37).
What are the key properties of N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 555.60 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 151531784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).