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

C17H30N2O2 — CID 83253151

IUPAC2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1CCC1CCCO1
InChIInChI=1S/C17H30N2O2/c1-13(2)12-15-18-17(8-3-4-9-17)16(20)19(15)10-7-14-6-5-11-21-14/h13-15,18H,3-12H2,1-2H3
InChIKeyVIUZJVPERMQKRJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds5

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

2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83253151) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83253151
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1CCC1CCCO1
InChIInChI=1S/C17H30N2O2/c1-13(2)12-15-18-17(8-3-4-9-17)16(20)19(15)10-7-14-6-5-11-21-14/h13-15,18H,3-12H2,1-2H3
InChIKeyVIUZJVPERMQKRJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-6-(oxan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256741
3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246794
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249091
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107298986
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104767782
3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107421436
5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 83253151) is 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CC1NC2(CCCC2)C(=O)N1CCC1CCCO1.
What is the InChIKey of 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is VIUZJVPERMQKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)12-15-18-17(8-3-4-9-17)16(20)19(15)10-7-14-6-5-11-21-14/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 294.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83253151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).