N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C14H24F3NO2 — CID 86848270

IUPACN-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC1CCC(CNC(=O)C(C)OCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-3-11-4-6-12(7-5-11)8-18-13(19)10(2)20-9-14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyADBPVUNFDPEESP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.29
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 86848270) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID86848270
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC1CCC(CNC(=O)C(C)OCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-3-11-4-6-12(7-5-11)8-18-13(19)10(2)20-9-14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyADBPVUNFDPEESP-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 86848270) is N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is CCC1CCC(CNC(=O)C(C)OCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ADBPVUNFDPEESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-3-11-4-6-12(7-5-11)8-18-13(19)10(2)20-9-14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 86848270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).