[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone

C17H23NO3 — CID 97488632

IUPAC[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
SMILESCC[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1
InChIInChI=1S/C17H23NO3/c1-2-13-10-17(21-11-13)7-4-8-18(12-17)16(20)14-5-3-6-15(19)9-14/h3,5-6,9,13,19H,2,4,7-8,10-12H2,1H3/t13-,17+/m1/s1
InChIKeyDPDIJVFCMSXZMZ-DYVFJYSZSA-N
MW289.37 g/mol
LogP2.81
Rot. Bonds2

About [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone

[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone (PubChem CID 97488632) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
PubChem CID97488632
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
SMILESCC[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1
InChIInChI=1S/C17H23NO3/c1-2-13-10-17(21-11-13)7-4-8-18(12-17)16(20)14-5-3-6-15(19)9-14/h3,5-6,9,13,19H,2,4,7-8,10-12H2,1H3/t13-,17+/m1/s1
InChIKeyDPDIJVFCMSXZMZ-DYVFJYSZSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 134074955
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693362
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
3H-benzimidazol-5-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072574
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693726

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone (CID 97488632) is [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone is CC[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1.
What is the InChIKey of [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is DPDIJVFCMSXZMZ-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13-10-17(21-11-13)7-4-8-18(12-17)16(20)14-5-3-6-15(19)9-14/h3,5-6,9,13,19H,2,4,7-8,10-12H2,1H3/t13-,17+/m1/s1.
What are the key properties of [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone?
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 289.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 97488632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).