3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H28N2O3 — CID 115943707

IUPAC3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C16H28N2O3/c1-12-13(19)18(10-11-21-15(2,3)4)16(14(20)17-12)8-6-5-7-9-16/h12H,5-11H2,1-4H3,(H,17,20)
InChIKeyNDSVNDGUTNITOZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds3

About 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 115943707) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID115943707
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C16H28N2O3/c1-12-13(19)18(10-11-21-15(2,3)4)16(14(20)17-12)8-6-5-7-9-16/h12H,5-11H2,1-4H3,(H,17,20)
InChIKeyNDSVNDGUTNITOZ-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 115943707) is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1NC(=O)C2(CCCCC2)N(CCOC(C)(C)C)C1=O.
What is the InChIKey of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is NDSVNDGUTNITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-13(19)18(10-11-21-15(2,3)4)16(14(20)17-12)8-6-5-7-9-16/h12H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 115943707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).