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

C18H28N2O4 — CID 97418169

IUPAC2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccoc3)CC2)CO1
InChIInChI=1S/C18H28N2O4/c1-19(2)17(21)13-23-12-16-9-18(14-24-16)4-6-20(7-5-18)10-15-3-8-22-11-15/h3,8,11,16H,4-7,9-10,12-14H2,1-2H3/t16-/m0/s1
InChIKeyCYQCOPUUQLGDHQ-INIZCTEOSA-N
MW336.43 g/mol
LogP1.76
Rot. Bonds6

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

2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 97418169) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
PubChem CID97418169
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccoc3)CC2)CO1
InChIInChI=1S/C18H28N2O4/c1-19(2)17(21)13-23-12-16-9-18(14-24-16)4-6-20(7-5-18)10-15-3-8-22-11-15/h3,8,11,16H,4-7,9-10,12-14H2,1-2H3/t16-/m0/s1
InChIKeyCYQCOPUUQLGDHQ-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-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97474482
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97477545
(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418289
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131657076
8-(furan-3-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131655040
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-[3-(furan-3-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155829320
2-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131656833
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
8-benzyl-3-(pyridin-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155840021
3-(methoxymethyl)-8-(thiophen-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155840879

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide (CID 97418169) is 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccoc3)CC2)CO1.
What is the InChIKey of 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is CYQCOPUUQLGDHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(2)17(21)13-23-12-16-9-18(14-24-16)4-6-20(7-5-18)10-15-3-8-22-11-15/h3,8,11,16H,4-7,9-10,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide?
2-[[(3S)-8-(furan-3-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-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97418169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).