2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C13H23F3N2O2 — CID 79811027

IUPAC2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC1CCC(O)(CNC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-3-9-4-6-12(20,7-5-9)8-18-10(19)11(2,17)13(14,15)16/h9,20H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyXWKYOTAOJSUITG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.71
Rot. Bonds4

About 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811027) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811027
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC1CCC(O)(CNC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-3-9-4-6-12(20,7-5-9)8-18-10(19)11(2,17)13(14,15)16/h9,20H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyXWKYOTAOJSUITG-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79811027) is 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CCC1CCC(O)(CNC(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XWKYOTAOJSUITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-9-4-6-12(20,7-5-9)8-18-10(19)11(2,17)13(14,15)16/h9,20H,3-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 296.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).