(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane

C20H31NO4 — CID 97418289

IUPAC(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1cc(CN2CCC3(CC2)CO[C@@H](COCC2CCOCC2)C3)co1
InChIInChI=1S/C20H31NO4/c1-8-22-9-2-17(1)13-24-15-19-11-20(16-25-19)4-6-21(7-5-20)12-18-3-10-23-14-18/h3,10,14,17,19H,1-2,4-9,11-13,15-16H2/t19-/m1/s1
InChIKeySCKJYABAGFTROS-LJQANCHMSA-N
MW349.47 g/mol
LogP3.09
Rot. Bonds6

About (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane

(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97418289) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID97418289
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1cc(CN2CCC3(CC2)CO[C@@H](COCC2CCOCC2)C3)co1
InChIInChI=1S/C20H31NO4/c1-8-22-9-2-17(1)13-24-15-19-11-20(16-25-19)4-6-21(7-5-20)12-18-3-10-23-14-18/h3,10,14,17,19H,1-2,4-9,11-13,15-16H2/t19-/m1/s1
InChIKeySCKJYABAGFTROS-LJQANCHMSA-N
XLogP3.09
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane with MolForge

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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
8-(furan-3-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131655040
[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418259
(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97476713
(3S,5S)-9-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97475120
(3R)-3-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane
CID 97418195
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
[(3S)-3-(cyclopentylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 97418282
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131657076
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 97474658
(3S)-3-(cyclobutylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419173

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 97418289) is (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane is c1cc(CN2CCC3(CC2)CO[C@@H](COCC2CCOCC2)C3)co1.
What is the InChIKey of (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is SCKJYABAGFTROS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31NO4/c1-8-22-9-2-17(1)13-24-15-19-11-20(16-25-19)4-6-21(7-5-20)12-18-3-10-23-14-18/h3,10,14,17,19H,1-2,4-9,11-13,15-16H2/t19-/m1/s1.
What are the key properties of (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?
(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 349.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).