ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate

C15H19F3N2O4 — CID 658570

IUPACethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate
SMILESCCOC(=O)C(NCc1ccccc1OC)(NC(C)=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O4/c1-4-24-13(22)14(15(16,17)18,20-10(2)21)19-9-11-7-5-6-8-12(11)23-3/h5-8,19H,4,9H2,1-3H3,(H,20,21)
InChIKeyDARINAFSFGCDGD-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.74
Rot. Bonds7

About ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate

ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate (PubChem CID 658570) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate
PubChem CID658570
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Nameethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate
SMILESCCOC(=O)C(NCc1ccccc1OC)(NC(C)=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O4/c1-4-24-13(22)14(15(16,17)18,20-10(2)21)19-9-11-7-5-6-8-12(11)23-3/h5-8,19H,4,9H2,1-3H3,(H,20,21)
InChIKeyDARINAFSFGCDGD-UHFFFAOYSA-N
XLogP1.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate (CID 658570) is ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate is CCOC(=O)C(NCc1ccccc1OC)(NC(C)=O)C(F)(F)F.
What is the InChIKey of ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate?
The InChIKey is DARINAFSFGCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-4-24-13(22)14(15(16,17)18,20-10(2)21)19-9-11-7-5-6-8-12(11)23-3/h5-8,19H,4,9H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate?
ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate has a molecular weight of 348.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 658570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).