tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate

C23H32FN3O4 — CID 151194812

IUPACtert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)NCC2c1ccc(F)cc1OC1CCC1
InChIInChI=1S/C23H32FN3O4/c1-22(2,3)31-21(29)27-11-9-23(10-12-27)18(14-25-20(28)26-23)17-8-7-15(24)13-19(17)30-16-5-4-6-16/h7-8,13,16,18H,4-6,9-12,14H2,1-3H3,(H2,25,26,28)
InChIKeyNHBNDUSTPAFAEC-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.92
Rot. Bonds3

About tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate

tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate (PubChem CID 151194812) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate
PubChem CID151194812
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC Nametert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)NCC2c1ccc(F)cc1OC1CCC1
InChIInChI=1S/C23H32FN3O4/c1-22(2,3)31-21(29)27-11-9-23(10-12-27)18(14-25-20(28)26-23)17-8-7-15(24)13-19(17)30-16-5-4-6-16/h7-8,13,16,18H,4-6,9-12,14H2,1-3H3,(H2,25,26,28)
InChIKeyNHBNDUSTPAFAEC-UHFFFAOYSA-N
XLogP3.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate with MolForge

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Related Compounds

tert-butyl 5-[4-fluoro-2-(3-methoxypropoxy)phenyl]-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate
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tert-butyl 5-(4-fluoro-2-methylphenyl)-2-oxo-3,9-diazaspiro[5.5]undecane-9-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate (CID 151194812) is tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)NCC2c1ccc(F)cc1OC1CCC1.
What is the InChIKey of tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is NHBNDUSTPAFAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-22(2,3)31-21(29)27-11-9-23(10-12-27)18(14-25-20(28)26-23)17-8-7-15(24)13-19(17)30-16-5-4-6-16/h7-8,13,16,18H,4-6,9-12,14H2,1-3H3,(H2,25,26,28).
What are the key properties of tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 433.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 151194812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).