6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione

C16H28N2O3 — CID 64901049

IUPAC6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCCOCCN1C(=O)C(C)(C)NC(=O)C12CCCC2
InChIInChI=1S/C16H28N2O3/c1-4-5-11-21-12-10-18-14(20)15(2,3)17-13(19)16(18)8-6-7-9-16/h4-12H2,1-3H3,(H,17,19)
InChIKeyIXAOQXQINKSPFV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds6

About 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione

6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64901049) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64901049
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCCOCCN1C(=O)C(C)(C)NC(=O)C12CCCC2
InChIInChI=1S/C16H28N2O3/c1-4-5-11-21-12-10-18-14(20)15(2,3)17-13(19)16(18)8-6-7-9-16/h4-12H2,1-3H3,(H,17,19)
InChIKeyIXAOQXQINKSPFV-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

6-butyl-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886836
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 82935243
3-ethyl-1-(2-methoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885883
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
8-ethyl-6-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106459014
3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64902390
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
9-(2-butoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878863
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106459063
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104567461
3,3-diethyl-1-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887515
9-(2-ethoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887448

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64901049) is 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCCCOCCN1C(=O)C(C)(C)NC(=O)C12CCCC2.
What is the InChIKey of 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is IXAOQXQINKSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-5-11-21-12-10-18-14(20)15(2,3)17-13(19)16(18)8-6-7-9-16/h4-12H2,1-3H3,(H,17,19).
What are the key properties of 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 296.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64901049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).