3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H23FN2O2 — CID 3077270

IUPAC3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CC)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C18H23FN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3
InChIKeyDJIDDCHCRPAINZ-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.19
Rot. Bonds4

About 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077270) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077270
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CC)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C18H23FN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3
InChIKeyDJIDDCHCRPAINZ-UHFFFAOYSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077270) is 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CC)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2.
What is the InChIKey of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DJIDDCHCRPAINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 318.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).