N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide

C10H19F3N2O — CID 43116682

IUPACN-pentyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-4-5-6-14-9(16)8(2)15-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyPUPJQZREDLBTEI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.83
Rot. Bonds7

About N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide

N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43116682) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43116682
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-pentyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-4-5-6-14-9(16)8(2)15-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyPUPJQZREDLBTEI-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide (CID 43116682) is N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide is CCCCCNC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is PUPJQZREDLBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-4-5-6-14-9(16)8(2)15-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide?
N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 240.27 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43116682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).