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

C22H28F3N3O2 — CID 24994598

IUPACN-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C22H28F3N3O2/c1-15(2)10-13-26-18(29)14-28-20(30)19(27-21(28)11-4-3-5-12-21)16-6-8-17(9-7-16)22(23,24)25/h6-9,15H,3-5,10-14H2,1-2H3,(H,26,29)
InChIKeyMORXGXWFPLZERG-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.16
Rot. Bonds6

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

N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24994598) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24994598
Molecular FormulaC22H28F3N3O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC NameN-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C22H28F3N3O2/c1-15(2)10-13-26-18(29)14-28-20(30)19(27-21(28)11-4-3-5-12-21)16-6-8-17(9-7-16)22(23,24)25/h6-9,15H,3-5,10-14H2,1-2H3,(H,26,29)
InChIKeyMORXGXWFPLZERG-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

H-D-hPhe(4-CF3)-Ala-NHBn(4-amidino)
CID 153200293
N-[(4-Fluorophenyl)methyl]-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-EN-1-YL}acetamide
CID 91891068
N-(4-fluorobenzyl)-2-(3-oxo-2-(p-tolyl)-1,4,8-triazaspiro[4.5]dec-1-en-8-yl)acetamide
CID 20962213
2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20962279
2-[2-(3,4-dimethylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 22575718
N-Cyclohexyl-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-EN-1-YL}acetamide
CID 53366827
N-cyclopentyl-2-(2,2-dimethyl-5-oxo-4-phenylimidazol-1-yl)acetamide
CID 91917726
N-benzyl-2-(2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-yl)acetamide
CID 53366825
N-cyclopentyl-2-(2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-yl)acetamide
CID 53366849
3-(4-Methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428769
2-[2-(4-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20962214
3-Phenyl-9-propanoyl-1,4,9-triazaspiro[4.5]dec-3-en-2-one
CID 53015289

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24994598) is N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is CC(C)CCNC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2.
What is the InChIKey of N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is MORXGXWFPLZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c1-15(2)10-13-26-18(29)14-28-20(30)19(27-21(28)11-4-3-5-12-21)16-6-8-17(9-7-16)22(23,24)25/h6-9,15H,3-5,10-14H2,1-2H3,(H,26,29).
What are the key properties of N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 423.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 24994598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).