2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide

C22H28F3N3O2 — CID 24994597

IUPAC2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C22H28F3N3O2/c1-3-7-15(2)26-18(29)14-28-20(30)19(27-21(28)12-5-4-6-13-21)16-8-10-17(11-9-16)22(23,24)25/h8-11,15H,3-7,12-14H2,1-2H3,(H,26,29)
InChIKeyFJTGHMPTRCHTIY-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.30
Rot. Bonds6

About 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide

2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide (PubChem CID 24994597) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide
PubChem CID24994597
Molecular FormulaC22H28F3N3O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C22H28F3N3O2/c1-3-7-15(2)26-18(29)14-28-20(30)19(27-21(28)12-5-4-6-13-21)16-8-10-17(11-9-16)22(23,24)25/h8-11,15H,3-7,12-14H2,1-2H3,(H,26,29)
InChIKeyFJTGHMPTRCHTIY-UHFFFAOYSA-N
XLogP4.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide (CID 24994597) is 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2.
What is the InChIKey of 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide?
The InChIKey is FJTGHMPTRCHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c1-3-7-15(2)26-18(29)14-28-20(30)19(27-21(28)12-5-4-6-13-21)16-8-10-17(11-9-16)22(23,24)25/h8-11,15H,3-7,12-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide?
2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide has a molecular weight of 423.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 24994597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).