2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C15H20F3N3O3 — CID 17415318

IUPAC2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCOCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H20F3N3O3/c1-24-8-7-21(9-12-5-3-2-4-6-12)10-13(22)20-14(23)19-11-15(16,17)18/h2-6H,7-11H2,1H3,(H2,19,20,22,23)
InChIKeyXIZFPISXYIHOJR-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.52
Rot. Bonds8

About 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 17415318) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID17415318
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCOCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H20F3N3O3/c1-24-8-7-21(9-12-5-3-2-4-6-12)10-13(22)20-14(23)19-11-15(16,17)18/h2-6H,7-11H2,1H3,(H2,19,20,22,23)
InChIKeyXIZFPISXYIHOJR-UHFFFAOYSA-N
XLogP1.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 94819168
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113468481
1-[3-[benzyl(methyl)amino]propyl]-3-(2,2,2-trifluoroethyl)urea
CID 115582781
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 86911016
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26625829
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide
CID 134099282
3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 17415318) is 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is COCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is XIZFPISXYIHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-24-8-7-21(9-12-5-3-2-4-6-12)10-13(22)20-14(23)19-11-15(16,17)18/h2-6H,7-11H2,1H3,(H2,19,20,22,23).
What are the key properties of 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 347.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 17415318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).