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

C13H23NO4 — CID 79111971

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO4/c1-3-16-10-12(15)14(2)11-4-6-13(7-5-11)17-8-9-18-13/h11H,3-10H2,1-2H3
InChIKeyRBPYTRFNVXEPLB-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.17
Rot. Bonds4

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide (PubChem CID 79111971) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide
PubChem CID79111971
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO4/c1-3-16-10-12(15)14(2)11-4-6-13(7-5-11)17-8-9-18-13/h11H,3-10H2,1-2H3
InChIKeyRBPYTRFNVXEPLB-UHFFFAOYSA-N
XLogP1.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
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-ethoxy-N-methylacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide (CID 79111971) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide?
The InChIKey is RBPYTRFNVXEPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-16-10-12(15)14(2)11-4-6-13(7-5-11)17-8-9-18-13/h11H,3-10H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylacetamide has a molecular weight of 257.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 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-ethoxy-N-methylacetamide is sourced from PubChem (CID 79111971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).