9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione

C16H28N2O3 — CID 104650420

IUPAC9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1C(=O)NC2(CCCC2)C(=O)N1CCCCOC
InChIInChI=1S/C16H28N2O3/c1-3-8-13-14(19)17-16(9-4-5-10-16)15(20)18(13)11-6-7-12-21-2/h13H,3-12H2,1-2H3,(H,17,19)
InChIKeyWCHCBTJYPRGKRB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds7

About 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione

9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 104650420) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID104650420
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1C(=O)NC2(CCCC2)C(=O)N1CCCCOC
InChIInChI=1S/C16H28N2O3/c1-3-8-13-14(19)17-16(9-4-5-10-16)15(20)18(13)11-6-7-12-21-2/h13H,3-12H2,1-2H3,(H,17,19)
InChIKeyWCHCBTJYPRGKRB-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 104650420) is 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCCC1C(=O)NC2(CCCC2)C(=O)N1CCCCOC.
What is the InChIKey of 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is WCHCBTJYPRGKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-8-13-14(19)17-16(9-4-5-10-16)15(20)18(13)11-6-7-12-21-2/h13H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 296.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 104650420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).