[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C17H19F3N2O4 — CID 2606850

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H19F3N2O4/c18-17(19,20)12-5-3-4-11(8-12)9-15(24)26-10-14(23)22-16(25)21-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H2,21,22,23,25)
InChIKeyNNLGYGXPIJZCAY-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.56
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2606850) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2606850
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H19F3N2O4/c18-17(19,20)12-5-3-4-11(8-12)9-15(24)26-10-14(23)22-16(25)21-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H2,21,22,23,25)
InChIKeyNNLGYGXPIJZCAY-UHFFFAOYSA-N
XLogP2.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]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 [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2606850) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is NNLGYGXPIJZCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c18-17(19,20)12-5-3-4-11(8-12)9-15(24)26-10-14(23)22-16(25)21-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H2,21,22,23,25).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 372.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2606850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).