N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide

C13H22N2O4 — CID 18583866

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C13H22N2O4/c1-2-14-11(16)12(17)15-8-10-9-18-13(19-10)6-4-3-5-7-13/h10H,2-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyVTTQBFFTDFLJMT-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.31
Rot. Bonds3

About N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide (PubChem CID 18583866) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide
PubChem CID18583866
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C13H22N2O4/c1-2-14-11(16)12(17)15-8-10-9-18-13(19-10)6-4-3-5-7-13/h10H,2-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyVTTQBFFTDFLJMT-UHFFFAOYSA-N
XLogP0.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide (CID 18583866) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide is CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide?
The InChIKey is VTTQBFFTDFLJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-14-11(16)12(17)15-8-10-9-18-13(19-10)6-4-3-5-7-13/h10H,2-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide has a molecular weight of 270.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-ethyloxamide is sourced from PubChem (CID 18583866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).