2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide

C12H21NO3 — CID 121001643

IUPAC2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCCCC12OCCO2
InChIInChI=1S/C12H21NO3/c1-13(2)11(14)9-10-5-3-4-6-12(10)15-7-8-16-12/h10H,3-9H2,1-2H3
InChIKeyQLVCHFRTGRXFEK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.40
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide

2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide (PubChem CID 121001643) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
PubChem CID121001643
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCCCC12OCCO2
InChIInChI=1S/C12H21NO3/c1-13(2)11(14)9-10-5-3-4-6-12(10)15-7-8-16-12/h10H,3-9H2,1-2H3
InChIKeyQLVCHFRTGRXFEK-UHFFFAOYSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
CID 7336205
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
CID 10423166
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide
CID 102421353
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol
CID 101483851
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
CID 168910128
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide (CID 121001643) is 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CCCCC12OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide?
The InChIKey is QLVCHFRTGRXFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(2)11(14)9-10-5-3-4-6-12(10)15-7-8-16-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide?
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide has a molecular weight of 227.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 121001643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).