4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

C13H23F3N2O2 — CID 60843294

IUPAC4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESCNCCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-17-7-3-6-12(19)18-10-4-2-5-11(8-10)20-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyUMCJPRNVOWRLBH-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.99
Rot. Bonds7

About 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (PubChem CID 60843294) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
PubChem CID60843294
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESCNCCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-17-7-3-6-12(19)18-10-4-2-5-11(8-10)20-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyUMCJPRNVOWRLBH-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (CID 60843294) is 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is CNCCCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The InChIKey is UMCJPRNVOWRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-17-7-3-6-12(19)18-10-4-2-5-11(8-10)20-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide has a molecular weight of 296.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is sourced from PubChem (CID 60843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).