N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

C24H25F3N4O4 — CID 46484708

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)NC(C)(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H25F3N4O4/c1-14-7-5-8-15(2)20(14)28-18(32)12-30(4)19(33)13-31-21(34)23(3,29-22(31)35)16-9-6-10-17(11-16)24(25,26)27/h5-11H,12-13H2,1-4H3,(H,28,32)(H,29,35)
InChIKeyJGRFQATXSJIBOZ-UHFFFAOYSA-N
MW490.48 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 46484708) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID46484708
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)NC(C)(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H25F3N4O4/c1-14-7-5-8-15(2)20(14)28-18(32)12-30(4)19(33)13-31-21(34)23(3,29-22(31)35)16-9-6-10-17(11-16)24(25,26)27/h5-11H,12-13H2,1-4H3,(H,28,32)(H,29,35)
InChIKeyJGRFQATXSJIBOZ-UHFFFAOYSA-N
XLogP3.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 46608368
N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484791
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8576314
N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484652
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951377
3-(2-hydroxy-2-methylpropyl)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 110932550
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581350
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571576
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484653
ethyl 3,5-dimethyl-4-[2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]-1H-pyrrole-2-carboxylate
CID 46484691
N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484725
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 27890651

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 46484708) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)NC(C)(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is JGRFQATXSJIBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-14-7-5-8-15(2)20(14)28-18(32)12-30(4)19(33)13-31-21(34)23(3,29-22(31)35)16-9-6-10-17(11-16)24(25,26)27/h5-11H,12-13H2,1-4H3,(H,28,32)(H,29,35).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 490.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46484708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).