2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C13H23F3N2O2 — CID 60842001

IUPAC2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCC(C)NCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-9(2)17-7-12(19)18-10-4-3-5-11(6-10)20-8-13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHOZVXVHTJIMQQM-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.99
Rot. Bonds6

About 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 60842001) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID60842001
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCC(C)NCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-9(2)17-7-12(19)18-10-4-3-5-11(6-10)20-8-13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHOZVXVHTJIMQQM-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 60842001) is 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is CC(C)NCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is HOZVXVHTJIMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(2)17-7-12(19)18-10-4-3-5-11(6-10)20-8-13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 60842001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).