9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H27FN2O2 — CID 118562384

IUPAC9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3F)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3
InChIKeyZAIUBAOMYCTCCK-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.65
Rot. Bonds4

About 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562384) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562384
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3F)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3
InChIKeyZAIUBAOMYCTCCK-UHFFFAOYSA-N
XLogP3.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562384) is 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3F)CC2)CN(c2ccccc2)C1=O.
What is the InChIKey of 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZAIUBAOMYCTCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3.
What are the key properties of 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).