2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide

C17H33F3N2O — CID 175047928

IUPAC2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide
SMILESCCCCCCC(CCC)CC(CC)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C17H33F3N2O/c1-4-7-8-9-11-14(10-5-2)12-16(6-3,15(21)23)22-13-17(18,19)20/h14,22H,4-13H2,1-3H3,(H2,21,23)
InChIKeyDOXKHCSCGADQSZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.55
Rot. Bonds13

About 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide

2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide (PubChem CID 175047928) has the molecular formula C17H33F3N2O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide.

Molecular Properties

Compound Name2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide
PubChem CID175047928
Molecular FormulaC17H33F3N2O
Molecular Weight338.46 g/mol
Exact Mass338.25
IUPAC Name2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide
SMILESCCCCCCC(CCC)CC(CC)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C17H33F3N2O/c1-4-7-8-9-11-14(10-5-2)12-16(6-3,15(21)23)22-13-17(18,19)20/h14,22H,4-13H2,1-3H3,(H2,21,23)
InChIKeyDOXKHCSCGADQSZ-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.55
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 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide?
The IUPAC name of 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide (CID 175047928) is 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide.
What is the SMILES notation for 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide?
The canonical SMILES for 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide is CCCCCCC(CCC)CC(CC)(NCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide?
The InChIKey is DOXKHCSCGADQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3N2O/c1-4-7-8-9-11-14(10-5-2)12-16(6-3,15(21)23)22-13-17(18,19)20/h14,22H,4-13H2,1-3H3,(H2,21,23).
What are the key properties of 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide?
2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide has a molecular weight of 338.46 g/mol, XLogP of 4.55, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide is sourced from PubChem (CID 175047928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).