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

C12H20N2O4 — CID 18583865

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
SMILESCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C12H20N2O4/c1-13-10(15)11(16)14-7-9-8-17-12(18-9)5-3-2-4-6-12/h9H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyBCGCKOBSNOOIIS-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.08
Rot. Bonds2

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

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide (PubChem CID 18583865) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
PubChem CID18583865
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
SMILESCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C12H20N2O4/c1-13-10(15)11(16)14-7-9-8-17-12(18-9)5-3-2-4-6-12/h9H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyBCGCKOBSNOOIIS-UHFFFAOYSA-N
XLogP-0.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-(2,2-dimethoxyethyl)oxalamide
CID 16955837
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-cyclopentyloxalamide
CID 18583838
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-propyloxalamide
CID 18583841
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-isopentyloxalamide
CID 18583842
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-(2-(dimethylamino)ethyl)oxalamide
CID 18583843
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-(2-hydroxyethyl)oxalamide
CID 18583847
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-(3-hydroxypropyl)oxalamide
CID 18583849
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 18583859
N'-cycloheptyl-N-({1,4-dioxaspiro[4.5]decan-2-yl}methyl)ethanediamide
CID 18583860
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-ethyloxalamide
CID 18583866
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-isobutyloxalamide
CID 18583869
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-2-(4-acetylpiperazin-1-yl)-2-oxoacetamide
CID 18583891

Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide (CID 18583865) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide is CNC(=O)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide?
The InChIKey is BCGCKOBSNOOIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13-10(15)11(16)14-7-9-8-17-12(18-9)5-3-2-4-6-12/h9H,2-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide has a molecular weight of 256.30 g/mol, XLogP of -0.08, 2 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-methyloxamide is sourced from PubChem (CID 18583865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).