9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H30N2O2 — CID 135332858

IUPAC9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCC(C)(C)C)CC2)OCC1=O
InChIInChI=1S/C16H30N2O2/c1-5-18-13-16(20-12-14(18)19)7-10-17(11-8-16)9-6-15(2,3)4/h5-13H2,1-4H3
InChIKeyHSJMYEKUODOUBB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.14
Rot. Bonds3

About 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332858) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332858
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCC(C)(C)C)CC2)OCC1=O
InChIInChI=1S/C16H30N2O2/c1-5-18-13-16(20-12-14(18)19)7-10-17(11-8-16)9-6-15(2,3)4/h5-13H2,1-4H3
InChIKeyHSJMYEKUODOUBB-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332858) is 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(CCC(C)(C)C)CC2)OCC1=O.
What is the InChIKey of 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HSJMYEKUODOUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-18-13-16(20-12-14(18)19)7-10-17(11-8-16)9-6-15(2,3)4/h5-13H2,1-4H3.
What are the key properties of 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 282.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-dimethylbutyl)-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).