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

C20H29FN2O3 — CID 3077306

IUPAC3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
InChIInChI=1S/C20H29FN2O3/c1-3-4-12-23-18(24)26-20(19(23,2)25)10-14-22(15-11-20)13-9-16-5-7-17(21)8-6-16/h5-8,25H,3-4,9-15H2,1-2H3
InChIKeyVWNUQUVAAXKTQC-UHFFFAOYSA-N
MW364.46 g/mol
LogP3.16
Rot. Bonds6

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

3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077306) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077306
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
InChIInChI=1S/C20H29FN2O3/c1-3-4-12-23-18(24)26-20(19(23,2)25)10-14-22(15-11-20)13-9-16-5-7-17(21)8-6-16/h5-8,25H,3-4,9-15H2,1-2H3
InChIKeyVWNUQUVAAXKTQC-UHFFFAOYSA-N
XLogP3.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077306) is 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.
What is the InChIKey of 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VWNUQUVAAXKTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-3-4-12-23-18(24)26-20(19(23,2)25)10-14-22(15-11-20)13-9-16-5-7-17(21)8-6-16/h5-8,25H,3-4,9-15H2,1-2H3.
What are the key properties of 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).