3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C22H23F3N2O2 — CID 134789522

IUPAC3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(C2=NOC3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3)C2)cc1
InChIInChI=1S/C22H23F3N2O2/c1-28-19-9-5-17(6-10-19)20-13-21(29-26-20)11-2-12-27(15-21)14-16-3-7-18(8-4-16)22(23,24)25/h3-10H,2,11-15H2,1H3
InChIKeyDRHKZQIGAWJAMV-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.87
Rot. Bonds4

About 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134789522) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134789522
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(C2=NOC3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3)C2)cc1
InChIInChI=1S/C22H23F3N2O2/c1-28-19-9-5-17(6-10-19)20-13-21(29-26-20)11-2-12-27(15-21)14-16-3-7-18(8-4-16)22(23,24)25/h3-10H,2,11-15H2,1H3
InChIKeyDRHKZQIGAWJAMV-UHFFFAOYSA-N
XLogP4.87
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134789522) is 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is COc1ccc(C2=NOC3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is DRHKZQIGAWJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-28-19-9-5-17(6-10-19)20-13-21(29-26-20)11-2-12-27(15-21)14-16-3-7-18(8-4-16)22(23,24)25/h3-10H,2,11-15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 404.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134789522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).