N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C25H26F3N3O2 — CID 24996505

IUPACN-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCc1ccccc1CNC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C25H26F3N3O2/c1-17-7-3-4-8-19(17)15-29-21(32)16-31-23(33)22(30-24(31)13-5-2-6-14-24)18-9-11-20(12-10-18)25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,32)
InChIKeyIJMZZGXNTXZWGZ-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.62
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24996505) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24996505
Molecular FormulaC25H26F3N3O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC NameN-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCc1ccccc1CNC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C25H26F3N3O2/c1-17-7-3-4-8-19(17)15-29-21(32)16-31-23(33)22(30-24(31)13-5-2-6-14-24)18-9-11-20(12-10-18)25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,32)
InChIKeyIJMZZGXNTXZWGZ-UHFFFAOYSA-N
XLogP4.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide 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 N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24996505) is N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is Cc1ccccc1CNC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is IJMZZGXNTXZWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c1-17-7-3-4-8-19(17)15-29-21(32)16-31-23(33)22(30-24(31)13-5-2-6-14-24)18-9-11-20(12-10-18)25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,32).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 457.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 24996505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).