N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C25H23F6N3O3 — CID 24746337

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C25H23F6N3O3/c1-37-19-7-5-15(6-8-19)21-22(36)34(23(33-21)9-3-2-4-10-23)14-20(35)32-18-12-16(24(26,27)28)11-17(13-18)25(29,30)31/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,32,35)
InChIKeyPFTLBNSBUAQEPA-UHFFFAOYSA-N
MW527.47 g/mol
LogP5.66
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24746337) has the molecular formula C25H23F6N3O3 and a molecular weight of 527.47 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24746337
Molecular FormulaC25H23F6N3O3
Molecular Weight527.47 g/mol
Exact Mass527.16
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C25H23F6N3O3/c1-37-19-7-5-15(6-8-19)21-22(36)34(23(33-21)9-3-2-4-10-23)14-20(35)32-18-12-16(24(26,27)28)11-17(13-18)25(29,30)31/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,32,35)
InChIKeyPFTLBNSBUAQEPA-UHFFFAOYSA-N
XLogP5.66
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-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

Related Compounds

2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53490445
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 23603208
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53490419
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092
N-(4-butylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490450
N-tert-butyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24995853
2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221664
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623
N-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221551
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24746337) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is PFTLBNSBUAQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N3O3/c1-37-19-7-5-15(6-8-19)21-22(36)34(23(33-21)9-3-2-4-10-23)14-20(35)32-18-12-16(24(26,27)28)11-17(13-18)25(29,30)31/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,32,35).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 527.47 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 24746337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).