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

C12H20F3N3O2 — CID 86993818

IUPACN-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-2-16-10(19)7-17-11(20)18-9-5-3-4-8(6-9)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyXMYBNNWQJSADTB-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.54
Rot. Bonds4

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

N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide (PubChem CID 86993818) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
PubChem CID86993818
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-2-16-10(19)7-17-11(20)18-9-5-3-4-8(6-9)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyXMYBNNWQJSADTB-UHFFFAOYSA-N
XLogP1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
The IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide (CID 86993818) is N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide is CCNC(=O)CNC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
The InChIKey is XMYBNNWQJSADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-2-16-10(19)7-17-11(20)18-9-5-3-4-8(6-9)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide has a molecular weight of 295.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide is sourced from PubChem (CID 86993818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).