ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate

C19H24F3NO3 — CID 14856858

IUPACethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C19H24F3NO3/c1-2-26-18(25)13-23(16-9-4-3-5-10-16)17(24)12-14-7-6-8-15(11-14)19(20,21)22/h6-8,11,16H,2-5,9-10,12-13H2,1H3
InChIKeyPGZYYWZZDOKLNC-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.97
Rot. Bonds6

About ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate

ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate (PubChem CID 14856858) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate
PubChem CID14856858
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Nameethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C19H24F3NO3/c1-2-26-18(25)13-23(16-9-4-3-5-10-16)17(24)12-14-7-6-8-15(11-14)19(20,21)22/h6-8,11,16H,2-5,9-10,12-13H2,1H3
InChIKeyPGZYYWZZDOKLNC-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate 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-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate (CID 14856858) is ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
The InChIKey is PGZYYWZZDOKLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-2-26-18(25)13-23(16-9-4-3-5-10-16)17(24)12-14-7-6-8-15(11-14)19(20,21)22/h6-8,11,16H,2-5,9-10,12-13H2,1H3.
What are the key properties of ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate has a molecular weight of 371.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclohexyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate is sourced from PubChem (CID 14856858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).