N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide

C14H17F3N2O4 — CID 108537687

IUPACN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(OCC(=O)NCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4/c1-2-22-10-3-5-11(6-4-10)23-9-12(20)18-7-8-19-13(21)14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZNJOWMPPMWOWDS-UHFFFAOYSA-N
MW334.29 g/mol
LogP1.26
Rot. Bonds8

About N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 108537687) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID108537687
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC NameN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(OCC(=O)NCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4/c1-2-22-10-3-5-11(6-4-10)23-9-12(20)18-7-8-19-13(21)14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZNJOWMPPMWOWDS-UHFFFAOYSA-N
XLogP1.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
CID 113465944
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107834053
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 9009426
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
2-(4-ethoxyphenoxy)-N-[2-(furan-3-yl)ethyl]acetamide
CID 90558332
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide (CID 108537687) is N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide is CCOc1ccc(OCC(=O)NCCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZNJOWMPPMWOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-2-22-10-3-5-11(6-4-10)23-9-12(20)18-7-8-19-13(21)14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 334.29 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108537687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).