2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate

C25H45N3O4 — CID 20510563

IUPAC2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H45N3O4/c1-6-7-8-9-10-11-12-13-14-15-20(29)32-17-16-28-21(30)25(26-22(28)31)18-23(2,3)27-24(4,5)19-25/h27H,6-19H2,1-5H3,(H,26,31)
InChIKeyHFWQWGNLMKGMMO-UHFFFAOYSA-N
MW451.65 g/mol
LogP4.68
Rot. Bonds13

About 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate

2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate (PubChem CID 20510563) has the molecular formula C25H45N3O4 and a molecular weight of 451.65 g/mol. Its IUPAC name is 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate.

Molecular Properties

Compound Name2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate
PubChem CID20510563
Molecular FormulaC25H45N3O4
Molecular Weight451.65 g/mol
Exact Mass451.34
IUPAC Name2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H45N3O4/c1-6-7-8-9-10-11-12-13-14-15-20(29)32-17-16-28-21(30)25(26-22(28)31)18-23(2,3)27-24(4,5)19-25/h27H,6-19H2,1-5H3,(H,26,31)
InChIKeyHFWQWGNLMKGMMO-UHFFFAOYSA-N
XLogP4.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.65
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate with MolForge

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Related Compounds

3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2583790
Ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate
CID 17441739
ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 94060911
2,4-Dioxo-1,3-diazaspiro(4.5)decane-3-acetic acid ethyl ester
CID 2622537
Propyl-2-(2',5'-dioxo-8-azaspiro[bicyclo[3.2.1] octane-3,4'-imidazolidine]-1'-yl)acetate
CID 129865739
2-[3-(2-Ethoxycarbonyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl ethyl carbonate
CID 20284694
5-Methyl-3-(morpholin-4-ylmethyl)-5-undecylimidazolidine-2,4-dione
CID 20350339
2-[7,7,9,9-Tetramethyl-8-(oxiran-2-ylmethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate
CID 20481852
2-[2-Dodecanoyloxyethyl-[2-dodecanoyloxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]ethyl dodecanoate
CID 23344711
1-(7,7,9,9-Tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propan-2-yl 3-oxobutanoate
CID 53670700
6-[2-(7,7,8,9,9-Pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate
CID 54160334
6-[2-(7,7,8,9,9-Pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 54328470

Frequently Asked Questions

What is the IUPAC name of 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate?
The IUPAC name of 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate (CID 20510563) is 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate.
What is the SMILES notation for 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate?
The canonical SMILES for 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate is CCCCCCCCCCCC(=O)OCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate?
The InChIKey is HFWQWGNLMKGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O4/c1-6-7-8-9-10-11-12-13-14-15-20(29)32-17-16-28-21(30)25(26-22(28)31)18-23(2,3)27-24(4,5)19-25/h27H,6-19H2,1-5H3,(H,26,31).
What are the key properties of 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate?
2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate has a molecular weight of 451.65 g/mol, XLogP of 4.68, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl dodecanoate is sourced from PubChem (CID 20510563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).