N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide

C10H17F3N2O2 — CID 23563423

IUPACN-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-3-4-8(16)14-6-5-9(17)15-7-10(11,12)13/h2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyACUNPHQJUAZHAA-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.36
Rot. Bonds7

About N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide

N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide (PubChem CID 23563423) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide
PubChem CID23563423
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-3-4-8(16)14-6-5-9(17)15-7-10(11,12)13/h2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyACUNPHQJUAZHAA-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide?
The IUPAC name of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide (CID 23563423) is N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide.
What is the SMILES notation for N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide?
The canonical SMILES for N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide is CCCCC(=O)NCCC(=O)NCC(F)(F)F.
What is the InChIKey of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide?
The InChIKey is ACUNPHQJUAZHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-3-4-8(16)14-6-5-9(17)15-7-10(11,12)13/h2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide?
N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide has a molecular weight of 254.25 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]pentanamide is sourced from PubChem (CID 23563423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).