3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C11H18N2O3 — CID 8522797

IUPAC3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCOCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H18N2O3/c1-2-16-8-7-13-9(14)11(12-10(13)15)5-3-4-6-11/h2-8H2,1H3,(H,12,15)
InChIKeyJPFBQGARXZWYMN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.89
Rot. Bonds4

About 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 8522797) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID8522797
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCOCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H18N2O3/c1-2-16-8-7-13-9(14)11(12-10(13)15)5-3-4-6-11/h2-8H2,1H3,(H,12,15)
InChIKeyJPFBQGARXZWYMN-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 8522797) is 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is CCOCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is JPFBQGARXZWYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-16-8-7-13-9(14)11(12-10(13)15)5-3-4-6-11/h2-8H2,1H3,(H,12,15).
What are the key properties of 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 8522797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).