9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H22N2O4 — CID 115947657

IUPAC9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCCCOCCN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H22N2O4/c1-2-3-9-20-10-8-16-12(18)14(6-4-5-7-14)11(17)15-13(16)19/h2-10H2,1H3,(H,15,17,19)
InChIKeyXVEGMOYRXMGMDR-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.44
Rot. Bonds6

About 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115947657) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115947657
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCCCOCCN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H22N2O4/c1-2-3-9-20-10-8-16-12(18)14(6-4-5-7-14)11(17)15-13(16)19/h2-10H2,1H3,(H,15,17,19)
InChIKeyXVEGMOYRXMGMDR-UHFFFAOYSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614
6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64901049
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301
N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 115947283
9-(2-butoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878863

Frequently Asked Questions

What is the IUPAC name of 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115947657) is 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CCCCOCCN1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is XVEGMOYRXMGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-3-9-20-10-8-16-12(18)14(6-4-5-7-14)11(17)15-13(16)19/h2-10H2,1H3,(H,15,17,19).
What are the key properties of 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 282.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115947657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).