2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide

C24H28F3N5O2 — CID 118666610

IUPAC2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(=O)Nc1cnc(C(F)(F)F)nc1)C2
InChIInChI=1S/C24H28F3N5O2/c1-31(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)12-20(34)32(16-22)15-19(33)30-18-13-28-21(29-14-18)24(25,26)27/h3-7,13-14H,8-12,15-16H2,1-2H3,(H,30,33)
InChIKeyCCVWXSRMQXTFAO-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.68
Rot. Bonds5

About 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide

2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide (PubChem CID 118666610) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
PubChem CID118666610
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(=O)Nc1cnc(C(F)(F)F)nc1)C2
InChIInChI=1S/C24H28F3N5O2/c1-31(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)12-20(34)32(16-22)15-19(33)30-18-13-28-21(29-14-18)24(25,26)27/h3-7,13-14H,8-12,15-16H2,1-2H3,(H,30,33)
InChIKeyCCVWXSRMQXTFAO-UHFFFAOYSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-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 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide (CID 118666610) is 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(=O)Nc1cnc(C(F)(F)F)nc1)C2.
What is the InChIKey of 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The InChIKey is CCVWXSRMQXTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-31(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)12-20(34)32(16-22)15-19(33)30-18-13-28-21(29-14-18)24(25,26)27/h3-7,13-14H,8-12,15-16H2,1-2H3,(H,30,33).
What are the key properties of 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide has a molecular weight of 475.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 118666610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).