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

C19H27FN2O3 — CID 3077303

IUPAC8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
InChIInChI=1S/C19H27FN2O3/c1-14(2)22-17(23)25-19(18(22,3)24)9-12-21(13-10-19)11-8-15-4-6-16(20)7-5-15/h4-7,14,24H,8-13H2,1-3H3
InChIKeyXHOKMAGQRBTZLE-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.77
Rot. Bonds4

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

8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077303) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077303
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
InChIInChI=1S/C19H27FN2O3/c1-14(2)22-17(23)25-19(18(22,3)24)9-12-21(13-10-19)11-8-15-4-6-16(20)7-5-15/h4-7,14,24H,8-13H2,1-3H3
InChIKeyXHOKMAGQRBTZLE-UHFFFAOYSA-N
XLogP2.77
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077303) is 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.
What is the InChIKey of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XHOKMAGQRBTZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-14(2)22-17(23)25-19(18(22,3)24)9-12-21(13-10-19)11-8-15-4-6-16(20)7-5-15/h4-7,14,24H,8-13H2,1-3H3.
What are the key properties of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).