3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

C13H23N3O4 — CID 103412224

IUPAC3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCOCCCN1C(=O)NC2(CCCNC2)C1=O
InChIInChI=1S/C13H23N3O4/c1-19-8-9-20-7-3-6-16-11(17)13(15-12(16)18)4-2-5-14-10-13/h14H,2-10H2,1H3,(H,15,18)
InChIKeyQHIQLQMYLLIDME-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.29
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 103412224) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID103412224
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCOCCCN1C(=O)NC2(CCCNC2)C1=O
InChIInChI=1S/C13H23N3O4/c1-19-8-9-20-7-3-6-16-11(17)13(15-12(16)18)4-2-5-14-10-13/h14H,2-10H2,1H3,(H,15,18)
InChIKeyQHIQLQMYLLIDME-UHFFFAOYSA-N
XLogP-0.29
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 103412224) is 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is COCCOCCCN1C(=O)NC2(CCCNC2)C1=O.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QHIQLQMYLLIDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-19-8-9-20-7-3-6-16-11(17)13(15-12(16)18)4-2-5-14-10-13/h14H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 285.34 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103412224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).