4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione

C13H20N2O4 — CID 112598636

IUPAC4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
SMILESCOCCN1C(=O)NC(=O)C2(CCCCCC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-19-9-8-15-11(17)13(10(16)14-12(15)18)6-4-2-3-5-7-13/h2-9H2,1H3,(H,14,16,18)
InChIKeyORGDHEVDZDJNLB-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.05
Rot. Bonds3

About 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione

4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione (PubChem CID 112598636) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
PubChem CID112598636
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
SMILESCOCCN1C(=O)NC(=O)C2(CCCCCC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-19-9-8-15-11(17)13(10(16)14-12(15)18)6-4-2-3-5-7-13/h2-9H2,1H3,(H,14,16,18)
InChIKeyORGDHEVDZDJNLB-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
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
N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 115947283
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 102702120
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105
4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106172217

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The IUPAC name of 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione (CID 112598636) is 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione.
What is the SMILES notation for 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The canonical SMILES for 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione is COCCN1C(=O)NC(=O)C2(CCCCCC2)C1=O.
What is the InChIKey of 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The InChIKey is ORGDHEVDZDJNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-19-9-8-15-11(17)13(10(16)14-12(15)18)6-4-2-3-5-7-13/h2-9H2,1H3,(H,14,16,18).
What are the key properties of 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione has a molecular weight of 268.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione is sourced from PubChem (CID 112598636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).