N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

C22H23F3N4O4 — CID 24664817

IUPACN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C22H23F3N4O4/c1-21(15-8-10-16(33-3)11-9-15)19(31)29(20(32)26-21)27-18(30)13-28(2)12-14-6-4-5-7-17(14)22(23,24)25/h4-11H,12-13H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyJZUBKZCEOOMNKW-UHFFFAOYSA-N
MW464.44 g/mol
LogP2.64
Rot. Bonds7

About N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 24664817) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID24664817
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC NameN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C22H23F3N4O4/c1-21(15-8-10-16(33-3)11-9-15)19(31)29(20(32)26-21)27-18(30)13-28(2)12-14-6-4-5-7-17(14)22(23,24)25/h4-11H,12-13H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyJZUBKZCEOOMNKW-UHFFFAOYSA-N
XLogP2.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 42944314
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 55869110
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
CID 40798319
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 8599891
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 43013055
2-[ethyl-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 55446747
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 24664817) is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is COc1ccc(C2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is JZUBKZCEOOMNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-21(15-8-10-16(33-3)11-9-15)19(31)29(20(32)26-21)27-18(30)13-28(2)12-14-6-4-5-7-17(14)22(23,24)25/h4-11H,12-13H2,1-3H3,(H,26,32)(H,27,30).
What are the key properties of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 464.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 24664817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).