2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

C13H16F3NO4 — CID 103606582

IUPAC2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCOCCOCC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4/c1-19-6-7-20-9-12(18)17-8-10-2-4-11(5-3-10)21-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyRSIHBBIQJPWYJI-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.86
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 103606582) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID103606582
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Name2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCOCCOCC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4/c1-19-6-7-20-9-12(18)17-8-10-2-4-11(5-3-10)21-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyRSIHBBIQJPWYJI-UHFFFAOYSA-N
XLogP1.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 43047806
[2-(benzylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2353376
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 79346573
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 103606582) is 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is COCCOCC(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is RSIHBBIQJPWYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-19-6-7-20-9-12(18)17-8-10-2-4-11(5-3-10)21-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 307.27 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 103606582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).