2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C22H25F3N4O4 — CID 24565559

IUPAC2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1OC(F)(F)F)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H25F3N4O4/c1-3-29(14-21(32)28-18-10-8-17(9-11-18)27-15(2)30)13-20(31)26-12-16-6-4-5-7-19(16)33-22(23,24)25/h4-11H,3,12-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyRCAIWQASEJQQDE-UHFFFAOYSA-N
MW466.46 g/mol
LogP3.12
Rot. Bonds10

About 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 24565559) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID24565559
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1OC(F)(F)F)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H25F3N4O4/c1-3-29(14-21(32)28-18-10-8-17(9-11-18)27-15(2)30)13-20(31)26-12-16-6-4-5-7-19(16)33-22(23,24)25/h4-11H,3,12-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyRCAIWQASEJQQDE-UHFFFAOYSA-N
XLogP3.12
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24568076
2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
CID 24566510
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41445035
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963113
N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 86994660
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 24565559) is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CCN(CC(=O)NCc1ccccc1OC(F)(F)F)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is RCAIWQASEJQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-3-29(14-21(32)28-18-10-8-17(9-11-18)27-15(2)30)13-20(31)26-12-16-6-4-5-7-19(16)33-22(23,24)25/h4-11H,3,12-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,32).
What are the key properties of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 466.46 g/mol, XLogP of 3.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 24565559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).