(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C18H25NO4 — CID 97395183

IUPAC(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCOCC[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1
InChIInChI=1S/C18H25NO4/c1-22-10-7-14-11-18(23-12-14)8-2-9-19(13-18)17(21)15-3-5-16(20)6-4-15/h3-6,14,20H,2,7-13H2,1H3/t14-,18-/m1/s1
InChIKeyBTOMXNMLRVHEDM-RDTXWAMCSA-N
MW319.40 g/mol
LogP2.44
Rot. Bonds4

About (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97395183) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97395183
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCOCC[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1
InChIInChI=1S/C18H25NO4/c1-22-10-7-14-11-18(23-12-14)8-2-9-19(13-18)17(21)15-3-5-16(20)6-4-15/h3-6,14,20H,2,7-13H2,1H3/t14-,18-/m1/s1
InChIKeyBTOMXNMLRVHEDM-RDTXWAMCSA-N
XLogP2.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-methylimidazol-4-yl)methanone
CID 97395226
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
[(3S,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97395204
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 134074955
1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 134073965
(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97395183) is (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is COCC[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1.
What is the InChIKey of (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is BTOMXNMLRVHEDM-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-10-7-14-11-18(23-12-14)8-2-9-19(13-18)17(21)15-3-5-16(20)6-4-15/h3-6,14,20H,2,7-13H2,1H3/t14-,18-/m1/s1.
What are the key properties of (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97395183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).