N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide

C27H26F3N3O4 — CID 10391723

IUPACN-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C27H26F3N3O4/c1-17(2)24(25(36)27(28,29)30)32-23(35)16-33-21(19-11-7-4-8-12-19)14-13-20(26(33)37)31-22(34)15-18-9-5-3-6-10-18/h3-14,17,24H,15-16H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyKNJHZLJXKQOZRU-UHFFFAOYSA-N
MW513.52 g/mol
LogP3.97
Rot. Bonds9

About N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide

N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide (PubChem CID 10391723) has the molecular formula C27H26F3N3O4 and a molecular weight of 513.52 g/mol. Its IUPAC name is N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide
PubChem CID10391723
Molecular FormulaC27H26F3N3O4
Molecular Weight513.52 g/mol
Exact Mass513.19
IUPAC NameN-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C27H26F3N3O4/c1-17(2)24(25(36)27(28,29)30)32-23(35)16-33-21(19-11-7-4-8-12-19)14-13-20(26(33)37)31-22(34)15-18-9-5-3-6-10-18/h3-14,17,24H,15-16H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyKNJHZLJXKQOZRU-UHFFFAOYSA-N
XLogP3.97
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide (CID 10391723) is N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide?
The InChIKey is KNJHZLJXKQOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O4/c1-17(2)24(25(36)27(28,29)30)32-23(35)16-33-21(19-11-7-4-8-12-19)14-13-20(26(33)37)31-22(34)15-18-9-5-3-6-10-18/h3-14,17,24H,15-16H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide?
N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide has a molecular weight of 513.52 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 10391723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).