2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide

C11H19F3N2O — CID 55097092

IUPAC2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCNC(C)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-7(15-2)10(17)16-9-5-3-8(4-6-9)11(12,13)14/h7-9,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyMXHXEJWTJUPJIQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds3

About 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide

2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 55097092) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID55097092
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCNC(C)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-7(15-2)10(17)16-9-5-3-8(4-6-9)11(12,13)14/h7-9,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyMXHXEJWTJUPJIQ-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide (CID 55097092) is 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide is CNC(C)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is MXHXEJWTJUPJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(15-2)10(17)16-9-5-3-8(4-6-9)11(12,13)14/h7-9,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 55097092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).