2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide

C13H23N3O3 — CID 70753295

IUPAC2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide
SMILESCCN1CC2(CCN(CC(=O)N(C)C)CC2)OC1=O
InChIInChI=1S/C13H23N3O3/c1-4-16-10-13(19-12(16)18)5-7-15(8-6-13)9-11(17)14(2)3/h4-10H2,1-3H3
InChIKeyKJMRHQJRNBUHHX-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.38
Rot. Bonds3

About 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide

2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide (PubChem CID 70753295) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide
PubChem CID70753295
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide
SMILESCCN1CC2(CCN(CC(=O)N(C)C)CC2)OC1=O
InChIInChI=1S/C13H23N3O3/c1-4-16-10-13(19-12(16)18)5-7-15(8-6-13)9-11(17)14(2)3/h4-10H2,1-3H3
InChIKeyKJMRHQJRNBUHHX-UHFFFAOYSA-N
XLogP0.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide (CID 70753295) is 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide is CCN1CC2(CCN(CC(=O)N(C)C)CC2)OC1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide?
The InChIKey is KJMRHQJRNBUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-16-10-13(19-12(16)18)5-7-15(8-6-13)9-11(17)14(2)3/h4-10H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide?
2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide has a molecular weight of 269.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 70753295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).