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

C12H21NO4 — CID 102852254

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO4/c1-13(15-2)11(14)9-10-3-5-12(6-4-10)16-7-8-17-12/h10H,3-9H2,1-2H3
InChIKeyQWBBBFAZMZVLKM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.33
Rot. Bonds3

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

2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide (PubChem CID 102852254) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
PubChem CID102852254
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO4/c1-13(15-2)11(14)9-10-3-5-12(6-4-10)16-7-8-17-12/h10H,3-9H2,1-2H3
InChIKeyQWBBBFAZMZVLKM-UHFFFAOYSA-N
XLogP1.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-methoxy-N-methylacetamide
CID 15158208
2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 165027481
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide
CID 156516751
N-methoxy-N-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59808791
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
CID 113414160
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide
CID 79112044
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide (CID 102852254) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide is CON(C)C(=O)CC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide?
The InChIKey is QWBBBFAZMZVLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(15-2)11(14)9-10-3-5-12(6-4-10)16-7-8-17-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide has a molecular weight of 243.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 102852254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).