2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide

C14H16F3N3O3 — CID 51094643

IUPAC2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-9(21)18-7-11(22)19-8-12(23)20-13(14(15,16)17)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIKJBLZUHMCQCFA-UHFFFAOYSA-N
MW331.29 g/mol
LogP0.66
Rot. Bonds6

About 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide

2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide (PubChem CID 51094643) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
PubChem CID51094643
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-9(21)18-7-11(22)19-8-12(23)20-13(14(15,16)17)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIKJBLZUHMCQCFA-UHFFFAOYSA-N
XLogP0.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide with MolForge

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Related Compounds

4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409
N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
CID 95774795
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
N-(2,2-difluoro-1,2-diphenylethyl)propanamide
CID 134936951
methyl 5-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]pentanoate
CID 56794608
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide (CID 51094643) is 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide?
The InChIKey is IKJBLZUHMCQCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-9(21)18-7-11(22)19-8-12(23)20-13(14(15,16)17)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide?
2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide has a molecular weight of 331.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide is sourced from PubChem (CID 51094643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).