1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H24N2O5 — CID 104567461

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOCCOCCOCCN1C(=O)NC(=O)C12CCCC2
InChIInChI=1S/C14H24N2O5/c1-19-8-9-21-11-10-20-7-6-16-13(18)15-12(17)14(16)4-2-3-5-14/h2-11H2,1H3,(H,15,17,18)
InChIKeyMPHMDYFQQKKJSI-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.53
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 104567461) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID104567461
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOCCOCCOCCN1C(=O)NC(=O)C12CCCC2
InChIInChI=1S/C14H24N2O5/c1-19-8-9-21-11-10-20-7-6-16-13(18)15-12(17)14(16)4-2-3-5-14/h2-11H2,1H3,(H,15,17,18)
InChIKeyMPHMDYFQQKKJSI-UHFFFAOYSA-N
XLogP0.53
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 104567461) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is COCCOCCOCCN1C(=O)NC(=O)C12CCCC2.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MPHMDYFQQKKJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-19-8-9-21-11-10-20-7-6-16-13(18)15-12(17)14(16)4-2-3-5-14/h2-11H2,1H3,(H,15,17,18).
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 0.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 104567461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).