[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone

C20H28FNO4 — CID 124821118

IUPAC[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCOCC[C@@H]1CCOC12CCN(C(=O)c1ccc(OC)c(F)c1)CC2
InChIInChI=1S/C20H28FNO4/c1-3-25-12-6-16-7-13-26-20(16)8-10-22(11-9-20)19(23)15-4-5-18(24-2)17(21)14-15/h4-5,14,16H,3,6-13H2,1-2H3/t16-/m1/s1
InChIKeyZJWWEKFTWYGASS-MRXNPFEDSA-N
MW365.45 g/mol
LogP3.27
Rot. Bonds6

About [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone

[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 124821118) has the molecular formula C20H28FNO4 and a molecular weight of 365.45 g/mol. Its IUPAC name is [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID124821118
Molecular FormulaC20H28FNO4
Molecular Weight365.45 g/mol
Exact Mass365.20
IUPAC Name[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCOCC[C@@H]1CCOC12CCN(C(=O)c1ccc(OC)c(F)c1)CC2
InChIInChI=1S/C20H28FNO4/c1-3-25-12-6-16-7-13-26-20(16)8-10-22(11-9-20)19(23)15-4-5-18(24-2)17(21)14-15/h4-5,14,16H,3,6-13H2,1-2H3/t16-/m1/s1
InChIKeyZJWWEKFTWYGASS-MRXNPFEDSA-N
XLogP3.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.27
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

(3-chloro-4-fluorophenyl)-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124870354
[(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
1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 124799575
[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131641705
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133142534
(3-fluoro-4-methoxyphenyl)-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640540
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 124821118) is [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone is CCOCC[C@@H]1CCOC12CCN(C(=O)c1ccc(OC)c(F)c1)CC2.
What is the InChIKey of [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is ZJWWEKFTWYGASS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28FNO4/c1-3-25-12-6-16-7-13-26-20(16)8-10-22(11-9-20)19(23)15-4-5-18(24-2)17(21)14-15/h4-5,14,16H,3,6-13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 365.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 124821118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).