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

C19H31N3O6 — CID 57070194

IUPAC2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)NC2(CC(C)(C)N(CCOC(C)=O)C(C)(C)C2)C1=O
InChIInChI=1S/C19H31N3O6/c1-13(23)27-9-7-21-15(25)19(20-16(21)26)11-17(3,4)22(18(5,6)12-19)8-10-28-14(2)24/h7-12H2,1-6H3,(H,20,26)
InChIKeyMLAZRYNKGGITMC-UHFFFAOYSA-N
MW397.47 g/mol
LogP1.06
Rot. Bonds6

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

2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 57070194) has the molecular formula C19H31N3O6 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID57070194
Molecular FormulaC19H31N3O6
Molecular Weight397.47 g/mol
Exact Mass397.22
IUPAC Name2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)NC2(CC(C)(C)N(CCOC(C)=O)C(C)(C)C2)C1=O
InChIInChI=1S/C19H31N3O6/c1-13(23)27-9-7-21-15(25)19(20-16(21)26)11-17(3,4)22(18(5,6)12-19)8-10-28-14(2)24/h7-12H2,1-6H3,(H,20,26)
InChIKeyMLAZRYNKGGITMC-UHFFFAOYSA-N
XLogP1.06
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2583790
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 3000204
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 3986277
3-(2-Morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2450111
Ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2495014
Ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate
CID 17441739
1-(2-Methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759329
2,4-Dioxo-1,3-diazaspiro(4.5)decane-3-acetic acid ethyl ester
CID 2622537
Ethyl 2-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 4378088
Ethyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 289058
Propyl-2-(2',5'-dioxo-8-azaspiro[bicyclo[3.2.1] octane-3,4'-imidazolidine]-1'-yl)acetate
CID 129865739
Ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetate
CID 56181318

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate (CID 57070194) is 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate is CC(=O)OCCN1C(=O)NC2(CC(C)(C)N(CCOC(C)=O)C(C)(C)C2)C1=O.
What is the InChIKey of 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is MLAZRYNKGGITMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O6/c1-13(23)27-9-7-21-15(25)19(20-16(21)26)11-17(3,4)22(18(5,6)12-19)8-10-28-14(2)24/h7-12H2,1-6H3,(H,20,26).
What are the key properties of 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate?
2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 397.47 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-acetyloxyethyl)-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 57070194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).