2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid

C20H28F3N3O7 — CID 16682211

IUPAC2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid
SMILESCCN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H26F3N3O3.C2H2O4/c1-3-23-6-8-24(9-7-23)13-17(25)22-15-12-14(18(19,20)21)4-5-16(15)27-11-10-26-2;3-1(4)2(5)6/h4-5,12H,3,6-11,13H2,1-2H3,(H,22,25);(H,3,4)(H,5,6)
InChIKeyNEVBJIYHVKDIHV-UHFFFAOYSA-N
MW479.45 g/mol
LogP1.46
Rot. Bonds8

About 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid

2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid (PubChem CID 16682211) has the molecular formula C20H28F3N3O7 and a molecular weight of 479.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid
PubChem CID16682211
Molecular FormulaC20H28F3N3O7
Molecular Weight479.45 g/mol
Exact Mass479.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid
SMILESCCN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H26F3N3O3.C2H2O4/c1-3-23-6-8-24(9-7-23)13-17(25)22-15-12-14(18(19,20)21)4-5-16(15)27-11-10-26-2;3-1(4)2(5)6/h4-5,12H,3,6-11,13H2,1-2H3,(H,22,25);(H,3,4)(H,5,6)
InChIKeyNEVBJIYHVKDIHV-UHFFFAOYSA-N
XLogP1.46
TPSA128.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid 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 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid (CID 16682211) is 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid is CCN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid?
The InChIKey is NEVBJIYHVKDIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3.C2H2O4/c1-3-23-6-8-24(9-7-23)13-17(25)22-15-12-14(18(19,20)21)4-5-16(15)27-11-10-26-2;3-1(4)2(5)6/h4-5,12H,3,6-11,13H2,1-2H3,(H,22,25);(H,3,4)(H,5,6).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid?
2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid has a molecular weight of 479.45 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 16682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).