3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one

C16H30N2O2 — CID 104767782

IUPAC3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCOC(C)(C)CN1C(=O)C2(CCCC2)NC1CC(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)10-13-17-16(8-6-7-9-16)14(19)18(13)11-15(3,4)20-5/h12-13,17H,6-11H2,1-5H3
InChIKeyYZYIHWBIJKSUQW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds5

About 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one

3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 104767782) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID104767782
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCOC(C)(C)CN1C(=O)C2(CCCC2)NC1CC(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)10-13-17-16(8-6-7-9-16)14(19)18(13)11-15(3,4)20-5/h12-13,17H,6-11H2,1-5H3
InChIKeyYZYIHWBIJKSUQW-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 104767782) is 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one is COC(C)(C)CN1C(=O)C2(CCCC2)NC1CC(C)C.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is YZYIHWBIJKSUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)10-13-17-16(8-6-7-9-16)14(19)18(13)11-15(3,4)20-5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 104767782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).