tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

C18H29N3O3 — CID 66817503

IUPACtert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O
InChIInChI=1S/C18H29N3O3/c1-17(2,3)24-16(23)21-11-9-18(10-12-21)15(22)19-14(20-18)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3,(H,19,20,22)
InChIKeyPCDXMXPFTRUITN-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.86
Rot. Bonds1

About tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 66817503) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID66817503
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O
InChIInChI=1S/C18H29N3O3/c1-17(2,3)24-16(23)21-11-9-18(10-12-21)15(22)19-14(20-18)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3,(H,19,20,22)
InChIKeyPCDXMXPFTRUITN-UHFFFAOYSA-N
XLogP2.86
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (CID 66817503) is tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O.
What is the InChIKey of tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is PCDXMXPFTRUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-17(2,3)24-16(23)21-11-9-18(10-12-21)15(22)19-14(20-18)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3,(H,19,20,22).
What are the key properties of tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 66817503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).