N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide

C10H17F3N2O2 — CID 119052926

IUPACN-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide
SMILESCCC(=O)NCC(C)(NC(=O)CC)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-7(16)14-6-9(3,10(11,12)13)15-8(17)5-2/h4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIKIFLIQQJUSKBW-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.36
Rot. Bonds5

About N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide

N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide (PubChem CID 119052926) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide
PubChem CID119052926
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide
SMILESCCC(=O)NCC(C)(NC(=O)CC)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-7(16)14-6-9(3,10(11,12)13)15-8(17)5-2/h4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIKIFLIQQJUSKBW-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide?
The IUPAC name of N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide (CID 119052926) is N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide.
What is the SMILES notation for N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide?
The canonical SMILES for N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide is CCC(=O)NCC(C)(NC(=O)CC)C(F)(F)F.
What is the InChIKey of N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide?
The InChIKey is IKIFLIQQJUSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-4-7(16)14-6-9(3,10(11,12)13)15-8(17)5-2/h4-6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide?
N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide has a molecular weight of 254.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide is sourced from PubChem (CID 119052926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).