2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide

C21H24F3N3O3 — CID 60589161

IUPAC2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCOc1ccc(NC(=O)N(C)CC(=O)Nc2ccccc2CC)c(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O3/c1-4-14-8-6-7-9-17(14)25-19(28)13-27(3)20(29)26-18-11-10-15(30-5-2)12-16(18)21(22,23)24/h6-12H,4-5,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyNYQRCXLIWHBTHA-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.77
Rot. Bonds7

About 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide

2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 60589161) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID60589161
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCOc1ccc(NC(=O)N(C)CC(=O)Nc2ccccc2CC)c(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O3/c1-4-14-8-6-7-9-17(14)25-19(28)13-27(3)20(29)26-18-11-10-15(30-5-2)12-16(18)21(22,23)24/h6-12H,4-5,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyNYQRCXLIWHBTHA-UHFFFAOYSA-N
XLogP4.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24566060
N-(2-ethylphenyl)-2-[[2-(3-fluorophenoxy)acetyl]-methylamino]acetamide
CID 8699564
N-(2-ethylphenyl)-2-[methyl-[(4-phenoxyphenyl)carbamoyl]amino]acetamide
CID 55696777
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8503379
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
CID 47420595
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 60589161) is 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide is CCOc1ccc(NC(=O)N(C)CC(=O)Nc2ccccc2CC)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is NYQRCXLIWHBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-4-14-8-6-7-9-17(14)25-19(28)13-27(3)20(29)26-18-11-10-15(30-5-2)12-16(18)21(22,23)24/h6-12H,4-5,13H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 423.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 60589161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).