(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol

C22H29NO3 — CID 165422192

IUPAC(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCCOc1ccc(-c2ccc(CN3CCC[C@@]4(CCC[C@H]4O)C3)o2)cc1
InChIInChI=1S/C22H29NO3/c1-2-25-18-8-6-17(7-9-18)20-11-10-19(26-20)15-23-14-4-13-22(16-23)12-3-5-21(22)24/h6-11,21,24H,2-5,12-16H2,1H3/t21-,22+/m1/s1
InChIKeyQXQOJIJOJXFMLD-YADHBBJMSA-N
MW355.48 g/mol
LogP4.47
Rot. Bonds5

About (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165422192) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165422192
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCCOc1ccc(-c2ccc(CN3CCC[C@@]4(CCC[C@H]4O)C3)o2)cc1
InChIInChI=1S/C22H29NO3/c1-2-25-18-8-6-17(7-9-18)20-11-10-19(26-20)15-23-14-4-13-22(16-23)12-3-5-21(22)24/h6-11,21,24H,2-5,12-16H2,1H3/t21-,22+/m1/s1
InChIKeyQXQOJIJOJXFMLD-YADHBBJMSA-N
XLogP4.47
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol with MolForge

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Related Compounds

4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 99948068
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 90651610
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165428621
(4R,5S)-7-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424125
(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091515
(4-ethoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164697904
(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165417589
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol (CID 165422192) is (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol is CCOc1ccc(-c2ccc(CN3CCC[C@@]4(CCC[C@H]4O)C3)o2)cc1.
What is the InChIKey of (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is QXQOJIJOJXFMLD-YADHBBJMSA-N. The full InChI is InChI=1S/C22H29NO3/c1-2-25-18-8-6-17(7-9-18)20-11-10-19(26-20)15-23-14-4-13-22(16-23)12-3-5-21(22)24/h6-11,21,24H,2-5,12-16H2,1H3/t21-,22+/m1/s1.
What are the key properties of (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 355.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165422192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).