N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide

C16H23F3N2O2 — CID 60592990

IUPACN-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-3-20-15(22)12-21(4-2)9-6-10-23-14-8-5-7-13(11-14)16(17,18)19/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyIPYHNEKTSYWWBZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.93
Rot. Bonds9

About N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide

N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide (PubChem CID 60592990) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide
PubChem CID60592990
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-3-20-15(22)12-21(4-2)9-6-10-23-14-8-5-7-13(11-14)16(17,18)19/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyIPYHNEKTSYWWBZ-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide (CID 60592990) is N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide is CCNC(=O)CN(CC)CCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide?
The InChIKey is IPYHNEKTSYWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-20-15(22)12-21(4-2)9-6-10-23-14-8-5-7-13(11-14)16(17,18)19/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide?
N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide has a molecular weight of 332.37 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide is sourced from PubChem (CID 60592990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).