N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide

C11H19NO4 — CID 47249817

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO4/c1-14-8-10(13)12-9-2-4-11(5-3-9)15-6-7-16-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRHOAGCWZUPYRAI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide (PubChem CID 47249817) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide
PubChem CID47249817
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO4/c1-14-8-10(13)12-9-2-4-11(5-3-9)15-6-7-16-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRHOAGCWZUPYRAI-UHFFFAOYSA-N
XLogP0.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide (CID 47249817) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide is COCC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide?
The InChIKey is RHOAGCWZUPYRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-14-8-10(13)12-9-2-4-11(5-3-9)15-6-7-16-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide has a molecular weight of 229.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxyacetamide is sourced from PubChem (CID 47249817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).