2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide

C11H18F3N3O2 — CID 60849623

IUPAC2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-2-1-3-8(4-7)17-10(19)6-16-9(18)5-15/h7-8H,1-6,15H2,(H,16,18)(H,17,19)
InChIKeyFFPSHFDMDNPAEJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.30
Rot. Bonds4

About 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide

2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide (PubChem CID 60849623) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
PubChem CID60849623
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-2-1-3-8(4-7)17-10(19)6-16-9(18)5-15/h7-8H,1-6,15H2,(H,16,18)(H,17,19)
InChIKeyFFPSHFDMDNPAEJ-UHFFFAOYSA-N
XLogP0.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide (CID 60849623) is 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide is NCC(=O)NCC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
The InChIKey is FFPSHFDMDNPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)7-2-1-3-8(4-7)17-10(19)6-16-9(18)5-15/h7-8H,1-6,15H2,(H,16,18)(H,17,19).
What are the key properties of 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide has a molecular weight of 281.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide is sourced from PubChem (CID 60849623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).