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

C22H24F3N3O4 — CID 22405496

IUPACN-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
SMILESCC(C)C(NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C22H24F3N3O4/c1-14(2)19(20(31)22(23,24)25)27-18(30)13-28-12-6-9-16(21(28)32)26-17(29)11-10-15-7-4-3-5-8-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYOYRRZJCWKPRLN-UHFFFAOYSA-N
MW451.45 g/mol
LogP2.69
Rot. Bonds9

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

N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide (PubChem CID 22405496) has the molecular formula C22H24F3N3O4 and a molecular weight of 451.45 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]-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
PubChem CID22405496
Molecular FormulaC22H24F3N3O4
Molecular Weight451.45 g/mol
Exact Mass451.17
IUPAC NameN-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
SMILESCC(C)C(NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C22H24F3N3O4/c1-14(2)19(20(31)22(23,24)25)27-18(30)13-28-12-6-9-16(21(28)32)26-17(29)11-10-15-7-4-3-5-8-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYOYRRZJCWKPRLN-UHFFFAOYSA-N
XLogP2.69
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide (CID 22405496) is N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide.
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]-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide is CC(C)C(NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)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]-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is YOYRRZJCWKPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O4/c1-14(2)19(20(31)22(23,24)25)27-18(30)13-28-12-6-9-16(21(28)32)26-17(29)11-10-15-7-4-3-5-8-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,26,29)(H,27,30).
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]-3-pyridinyl]-3-phenylpropanamide?
N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 451.45 g/mol, XLogP of 2.69, 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]-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 22405496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).