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

C21H24F3N3O2 — CID 24994600

IUPACN-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)NC1CCC1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)15-9-7-14(8-10-15)18-19(29)27(13-17(28)25-16-5-4-6-16)20(26-18)11-2-1-3-12-20/h7-10,16H,1-6,11-13H2,(H,25,28)
InChIKeyTXJCYZOBAVHGCX-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.67
Rot. Bonds4

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

N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24994600) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24994600
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)NC1CCC1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)15-9-7-14(8-10-15)18-19(29)27(13-17(28)25-16-5-4-6-16)20(26-18)11-2-1-3-12-20/h7-10,16H,1-6,11-13H2,(H,25,28)
InChIKeyTXJCYZOBAVHGCX-UHFFFAOYSA-N
XLogP3.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24994600) is N-cyclobutyl-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-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is O=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is TXJCYZOBAVHGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)15-9-7-14(8-10-15)18-19(29)27(13-17(28)25-16-5-4-6-16)20(26-18)11-2-1-3-12-20/h7-10,16H,1-6,11-13H2,(H,25,28).
What are the key properties of N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 407.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 24994600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).