2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide

C18H28N2O4 — CID 97474482

IUPAC2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccco3)CC2)CO1
InChIInChI=1S/C18H28N2O4/c1-19(2)17(21)13-22-12-16-10-18(14-24-16)5-7-20(8-6-18)11-15-4-3-9-23-15/h3-4,9,16H,5-8,10-14H2,1-2H3/t16-/m0/s1
InChIKeyHZCRKGWNRPUQCT-INIZCTEOSA-N
MW336.43 g/mol
LogP1.76
Rot. Bonds6

About 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide

2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 97474482) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
PubChem CID97474482
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccco3)CC2)CO1
InChIInChI=1S/C18H28N2O4/c1-19(2)17(21)13-22-12-16-10-18(14-24-16)5-7-20(8-6-18)11-15-4-3-9-23-15/h3-4,9,16H,5-8,10-14H2,1-2H3/t16-/m0/s1
InChIKeyHZCRKGWNRPUQCT-INIZCTEOSA-N
XLogP1.76
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97418169
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97477545
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131657076
(3R)-8-(furan-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418304
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 155845966
N,N-dimethyl-2-[[(3R)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97484135
2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379683
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376261
N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97422994

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide (CID 97474482) is 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccco3)CC2)CO1.
What is the InChIKey of 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is HZCRKGWNRPUQCT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(2)17(21)13-22-12-16-10-18(14-24-16)5-7-20(8-6-18)11-15-4-3-9-23-15/h3-4,9,16H,5-8,10-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 336.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97474482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).