8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H28N2O3 — CID 64885131

IUPAC8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCOCCCN1C(=O)C2(CCCC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2,3)12-13(19)17-16(8-5-6-9-16)14(20)18(12)10-7-11-21-4/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyZCNFHVLYSXSVJX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds4

About 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885131) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885131
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCOCCCN1C(=O)C2(CCCC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2,3)12-13(19)17-16(8-5-6-9-16)14(20)18(12)10-7-11-21-4/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyZCNFHVLYSXSVJX-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
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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Related Compounds

6-tert-butyl-3-cyclopropyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64884994
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381
9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 104650420
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887804
9-(3-ethoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958654
3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886495
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886290
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64967479
9-(2-ethoxy-2-methylpropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114944504
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885131) is 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is COCCCN1C(=O)C2(CCCC2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is ZCNFHVLYSXSVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)12-13(19)17-16(8-5-6-9-16)14(20)18(12)10-7-11-21-4/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).