2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide

C13H20F3N3O3 — CID 56818074

IUPAC2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O3/c1-8(20)17-6-11(21)18-7-12(22)19-10-4-2-9(3-5-10)13(14,15)16/h9-10H,2-7H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeySOECWFPDMUFGPP-UHFFFAOYSA-N
MW323.32 g/mol
LogP0.48
Rot. Bonds5

About 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide

2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide (PubChem CID 56818074) has the molecular formula C13H20F3N3O3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
PubChem CID56818074
Molecular FormulaC13H20F3N3O3
Molecular Weight323.32 g/mol
Exact Mass323.15
IUPAC Name2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O3/c1-8(20)17-6-11(21)18-7-12(22)19-10-4-2-9(3-5-10)13(14,15)16/h9-10H,2-7H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeySOECWFPDMUFGPP-UHFFFAOYSA-N
XLogP0.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide (CID 56818074) is 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
The InChIKey is SOECWFPDMUFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3/c1-8(20)17-6-11(21)18-7-12(22)19-10-4-2-9(3-5-10)13(14,15)16/h9-10H,2-7H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide has a molecular weight of 323.32 g/mol, XLogP of 0.48, 5 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-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide is sourced from PubChem (CID 56818074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).