2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C21H24F3N3O3 — CID 38512223

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NCc2ccccc2OC(F)(F)F)c1C
InChIInChI=1S/C21H24F3N3O3/c1-14-7-6-9-17(15(14)2)26-20(29)13-27(3)12-19(28)25-11-16-8-4-5-10-18(16)30-21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyOIXIONZQGSPCHE-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.39
Rot. Bonds8

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 38512223) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID38512223
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NCc2ccccc2OC(F)(F)F)c1C
InChIInChI=1S/C21H24F3N3O3/c1-14-7-6-9-17(15(14)2)26-20(29)13-27(3)12-19(28)25-11-16-8-4-5-10-18(16)30-21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyOIXIONZQGSPCHE-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
CID 24566510
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24568076
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24566367
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 40694690
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 55698968
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 2-amino-3-methylbenzoate
CID 41461937
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 38512223) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)NCc2ccccc2OC(F)(F)F)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is OIXIONZQGSPCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-14-7-6-9-17(15(14)2)26-20(29)13-27(3)12-19(28)25-11-16-8-4-5-10-18(16)30-21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 38512223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).