N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide

C21H24F3N3O4 — CID 2114369

IUPACN-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O4/c1-4-27(12-19(28)25-14-9-10-17(30-2)18(11-14)31-3)13-20(29)26-16-8-6-5-7-15(16)21(22,23)24/h5-11H,4,12-13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyNQKPGVYOMVXPHA-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.62
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide

N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide (PubChem CID 2114369) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
PubChem CID2114369
Molecular FormulaC21H24F3N3O4
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O4/c1-4-27(12-19(28)25-14-9-10-17(30-2)18(11-14)31-3)13-20(29)26-16-8-6-5-7-15(16)21(22,23)24/h5-11H,4,12-13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyNQKPGVYOMVXPHA-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide (CID 2114369) is N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The InChIKey is NQKPGVYOMVXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4/c1-4-27(12-19(28)25-14-9-10-17(30-2)18(11-14)31-3)13-20(29)26-16-8-6-5-7-15(16)21(22,23)24/h5-11H,4,12-13H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide has a molecular weight of 439.43 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide is sourced from PubChem (CID 2114369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).