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

C13H21F3N2O2 — CID 60842687

IUPAC2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(CNC1CC1)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-20-11-3-1-2-10(6-11)18-12(19)7-17-9-4-5-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyRPJIZQIXLZBELD-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.74
Rot. Bonds6

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

2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 60842687) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID60842687
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(CNC1CC1)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-20-11-3-1-2-10(6-11)18-12(19)7-17-9-4-5-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyRPJIZQIXLZBELD-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 60842687) is 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is O=C(CNC1CC1)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is RPJIZQIXLZBELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)8-20-11-3-1-2-10(6-11)18-12(19)7-17-9-4-5-9/h9-11,17H,1-8H2,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 294.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 60842687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).