1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone

C21H30FNO4 — CID 124799575

IUPAC1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
SMILESCCOCC[C@@H]1CCOC12CCN(C(=O)Cc1ccc(F)cc1OC)CC2
InChIInChI=1S/C21H30FNO4/c1-3-26-12-6-17-7-13-27-21(17)8-10-23(11-9-21)20(24)14-16-4-5-18(22)15-19(16)25-2/h4-5,15,17H,3,6-14H2,1-2H3/t17-/m1/s1
InChIKeyZFJTTYZUOTWFGR-QGZVFWFLSA-N
MW379.47 g/mol
LogP3.20
Rot. Bonds7

About 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone

1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone (PubChem CID 124799575) has the molecular formula C21H30FNO4 and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
PubChem CID124799575
Molecular FormulaC21H30FNO4
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
SMILESCCOCC[C@@H]1CCOC12CCN(C(=O)Cc1ccc(F)cc1OC)CC2
InChIInChI=1S/C21H30FNO4/c1-3-26-12-6-17-7-13-27-21(17)8-10-23(11-9-21)20(24)14-16-4-5-18(22)15-19(16)25-2/h4-5,15,17H,3,6-14H2,1-2H3/t17-/m1/s1
InChIKeyZFJTTYZUOTWFGR-QGZVFWFLSA-N
XLogP3.20
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 124821118
(3-chloro-4-fluorophenyl)-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124870354
[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131641705
2-(4-fluoro-2-methylphenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 124998798
2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124795904
1-[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 97363292
1-[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 131660498
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
[(4R)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 124789427
[(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 124789426
4-(2-ethoxyethyl)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 133141822
4-(2-ethoxyethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131678473

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone (CID 124799575) is 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone is CCOCC[C@@H]1CCOC12CCN(C(=O)Cc1ccc(F)cc1OC)CC2.
What is the InChIKey of 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is ZFJTTYZUOTWFGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30FNO4/c1-3-26-12-6-17-7-13-27-21(17)8-10-23(11-9-21)20(24)14-16-4-5-18(22)15-19(16)25-2/h4-5,15,17H,3,6-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone?
1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 379.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 124799575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).