8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H25F3N2O3 — CID 66901840

IUPAC8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2C(F)(F)F)C(=O)O3)c1C
InChIInChI=1S/C24H25F3N2O3/c1-16-6-5-8-19(17(16)2)21(30)28-12-10-23(11-13-28)15-29(22(31)32-23)14-18-7-3-4-9-20(18)24(25,26)27/h3-9H,10-15H2,1-2H3
InChIKeyMWCAYUPDROKTRU-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.95
Rot. Bonds3

About 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901840) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901840
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2C(F)(F)F)C(=O)O3)c1C
InChIInChI=1S/C24H25F3N2O3/c1-16-6-5-8-19(17(16)2)21(30)28-12-10-23(11-13-28)15-29(22(31)32-23)14-18-7-3-4-9-20(18)24(25,26)27/h3-9H,10-15H2,1-2H3
InChIKeyMWCAYUPDROKTRU-UHFFFAOYSA-N
XLogP4.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901840) is 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2C(F)(F)F)C(=O)O3)c1C.
What is the InChIKey of 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MWCAYUPDROKTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-16-6-5-8-19(17(16)2)21(30)28-12-10-23(11-13-28)15-29(22(31)32-23)14-18-7-3-4-9-20(18)24(25,26)27/h3-9H,10-15H2,1-2H3.
What are the key properties of 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 446.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylbenzoyl)-3-[[2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).