N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide

C13H22N2O5 — CID 18583847

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C13H22N2O5/c16-7-6-14-11(17)12(18)15-8-10-9-19-13(20-10)4-2-1-3-5-13/h10,16H,1-9H2,(H,14,17)(H,15,18)
InChIKeyKLYNMJOEHDCHJF-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.71
Rot. Bonds4

About N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide (PubChem CID 18583847) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide
PubChem CID18583847
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C13H22N2O5/c16-7-6-14-11(17)12(18)15-8-10-9-19-13(20-10)4-2-1-3-5-13/h10,16H,1-9H2,(H,14,17)(H,15,18)
InChIKeyKLYNMJOEHDCHJF-UHFFFAOYSA-N
XLogP-0.71
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide (CID 18583847) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide?
The InChIKey is KLYNMJOEHDCHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-7-6-14-11(17)12(18)15-8-10-9-19-13(20-10)4-2-1-3-5-13/h10,16H,1-9H2,(H,14,17)(H,15,18).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide has a molecular weight of 286.33 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 18583847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).