N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

C13H16F3NO4 — CID 47091604

IUPACN-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCONC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H16F3NO4/c1-19-11-7-9(4-6-12(18)17-20-2)3-5-10(11)21-8-13(14,15)16/h3,5,7H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyWMFFVSJENNKAMO-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.25
Rot. Bonds7

About N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 47091604) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID47091604
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC NameN-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCONC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H16F3NO4/c1-19-11-7-9(4-6-12(18)17-20-2)3-5-10(11)21-8-13(14,15)16/h3,5,7H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyWMFFVSJENNKAMO-UHFFFAOYSA-N
XLogP2.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanediamide
CID 51131042
(2R)-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanoic acid
CID 97234320
ethyl (2R)-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanoate
CID 52507615
1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176805
N-(5-amino-2-methylphenyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120568721
N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60615637
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]-N-(2-methylpropyl)benzamide
CID 60615607
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 52532296
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200872
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 47091604) is N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide is CONC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1.
What is the InChIKey of N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is WMFFVSJENNKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-19-11-7-9(4-6-12(18)17-20-2)3-5-10(11)21-8-13(14,15)16/h3,5,7H,4,6,8H2,1-2H3,(H,17,18).
What are the key properties of N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 307.27 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 47091604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).