3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H22F3N3O3 — CID 59872168

IUPAC3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O3/c1-15-12-16(14-17(13-15)23(24,25)26)19(30)28-10-8-22(9-11-28)20(31)27(2)21(32)29(22)18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3
InChIKeyCXZDBQOVHNDCCW-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.09
Rot. Bonds2

About 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 59872168) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID59872168
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O3/c1-15-12-16(14-17(13-15)23(24,25)26)19(30)28-10-8-22(9-11-28)20(31)27(2)21(32)29(22)18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3
InChIKeyCXZDBQOVHNDCCW-UHFFFAOYSA-N
XLogP4.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 59872168) is 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CXZDBQOVHNDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-15-12-16(14-17(13-15)23(24,25)26)19(30)28-10-8-22(9-11-28)20(31)27(2)21(32)29(22)18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 445.44 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 59872168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).