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

C20H33N3O3 — CID 70933430

IUPACtert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCCC1CCC(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N2)CC1
InChIInChI=1S/C20H33N3O3/c1-5-14-6-8-15(9-7-14)16-21-17(24)20(22-16)10-12-23(13-11-20)18(25)26-19(2,3)4/h14-15H,5-13H2,1-4H3,(H,21,22,24)
InChIKeyNJCVBLVCRQLDFS-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.50
Rot. Bonds2

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

tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 70933430) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID70933430
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCCC1CCC(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N2)CC1
InChIInChI=1S/C20H33N3O3/c1-5-14-6-8-15(9-7-14)16-21-17(24)20(22-16)10-12-23(13-11-20)18(25)26-19(2,3)4/h14-15H,5-13H2,1-4H3,(H,21,22,24)
InChIKeyNJCVBLVCRQLDFS-UHFFFAOYSA-N
XLogP3.50
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate with MolForge

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Related Compounds

tert-butyl 4-oxo-2-(9,9,9-trifluorononyl)-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 70933419
3-(4-ethylcyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 103719544
tert-butyl 2-(4-cyanophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 66817658
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 4-[3-methyl-4-[(E)-2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-3-oxopiperazine-1-carboxylate
CID 66816220
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
4-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 21061045
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
sodium;tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate;tert-butyl 4-cyano-4-[(3-methylcyclohexanecarbonyl)amino]piperidine-1-carboxylate;tert-butyl 2-[(1S,3R)-3-methylcyclohexyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;dichloromethane;hydroxyazanide;methane;3-methylcyclohexane-1-carboxylic acid;2-[(1S,3R)-3-methylcyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 158778779
tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate
CID 86660374
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 57425738

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (CID 70933430) is tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is CCC1CCC(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N2)CC1.
What is the InChIKey of tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is NJCVBLVCRQLDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-5-14-6-8-15(9-7-14)16-21-17(24)20(22-16)10-12-23(13-11-20)18(25)26-19(2,3)4/h14-15H,5-13H2,1-4H3,(H,21,22,24).
What are the key properties of tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 70933430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).