3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

C16H28N2O2 — CID 83259569

IUPAC3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1C1CCOC(C)(C)C1
InChIInChI=1S/C16H28N2O2/c1-4-13-17-16(8-5-6-9-16)14(19)18(13)12-7-10-20-15(2,3)11-12/h12-13,17H,4-11H2,1-3H3
InChIKeyKTIFCXQOKIZBOJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.42
Rot. Bonds2

About 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83259569) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83259569
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1C1CCOC(C)(C)C1
InChIInChI=1S/C16H28N2O2/c1-4-13-17-16(8-5-6-9-16)14(19)18(13)12-7-10-20-15(2,3)11-12/h12-13,17H,4-11H2,1-3H3
InChIKeyKTIFCXQOKIZBOJ-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83259569) is 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1C1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is KTIFCXQOKIZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-13-17-16(8-5-6-9-16)14(19)18(13)12-7-10-20-15(2,3)11-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 280.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83259569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).