N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide

C8H15F3N2O — CID 43089171

IUPACN-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(C)NC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(2)13-7(14)6(3)12-4-8(9,10)11/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyDUHYUZVZCVISFE-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.50
Rot. Bonds4

About N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide

N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43089171) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43089171
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(C)NC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(2)13-7(14)6(3)12-4-8(9,10)11/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyDUHYUZVZCVISFE-UHFFFAOYSA-N
XLogP1.50
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity192

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide (CID 43089171) is N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide is CC(C)NC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is DUHYUZVZCVISFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-5(2)13-7(14)6(3)12-4-8(9,10)11/h5-6,12H,4H2,1-3H3,(H,13,14).
What are the key properties of N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide?
N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 212.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43089171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).