3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

C15H19F3N2O3 — CID 60545145

IUPAC3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-10-5-11(2)7-12(6-10)23-4-3-13(21)19-8-14(22)20-9-15(16,17)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNWNMLBFVJJUVNR-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.87
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (PubChem CID 60545145) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
PubChem CID60545145
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-10-5-11(2)7-12(6-10)23-4-3-13(21)19-8-14(22)20-9-15(16,17)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNWNMLBFVJJUVNR-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017
3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006892

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (CID 60545145) is 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is Cc1cc(C)cc(OCCC(=O)NCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The InChIKey is NWNMLBFVJJUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10-5-11(2)7-12(6-10)23-4-3-13(21)19-8-14(22)20-9-15(16,17)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide has a molecular weight of 332.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is sourced from PubChem (CID 60545145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).