N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C12H23F3N2O2 — CID 55031815

IUPACN-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCCCCCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-3-4-5-6-17-11(18)10(2)16-7-8-19-9-12(13,14)15/h10,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyBFFGVSDYZRLUQK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.85
Rot. Bonds10

About N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 55031815) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID55031815
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCCCCCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-3-4-5-6-17-11(18)10(2)16-7-8-19-9-12(13,14)15/h10,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyBFFGVSDYZRLUQK-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 55031815) is N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is CCCCCNC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is BFFGVSDYZRLUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-3-4-5-6-17-11(18)10(2)16-7-8-19-9-12(13,14)15/h10,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 55031815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).