2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C13H23F3N2O — CID 103764812

IUPAC2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1(CNC(C)C(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C13H23F3N2O/c1-3-12(6-4-5-7-12)8-17-10(2)11(19)18-9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyPIECBYCIYXDDGZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds6

About 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103764812) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103764812
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1(CNC(C)C(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C13H23F3N2O/c1-3-12(6-4-5-7-12)8-17-10(2)11(19)18-9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyPIECBYCIYXDDGZ-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103764812) is 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CCC1(CNC(C)C(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PIECBYCIYXDDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-12(6-4-5-7-12)8-17-10(2)11(19)18-9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103764812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).