[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C18H25F3N2O4 — CID 55315841

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H25F3N2O4/c1-12(2)7-22(8-13(3)4)16(25)11-27-17(26)10-23-9-14(18(19,20)21)5-6-15(23)24/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChIKeyHJSAEAWANCKIBW-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.55
Rot. Bonds8

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 55315841) has the molecular formula C18H25F3N2O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID55315841
Molecular FormulaC18H25F3N2O4
Molecular Weight390.40 g/mol
Exact Mass390.18
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H25F3N2O4/c1-12(2)7-22(8-13(3)4)16(25)11-27-17(26)10-23-9-14(18(19,20)21)5-6-15(23)24/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChIKeyHJSAEAWANCKIBW-UHFFFAOYSA-N
XLogP2.55
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]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-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 55315841) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is CC(C)CN(CC(C)C)C(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is HJSAEAWANCKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O4/c1-12(2)7-22(8-13(3)4)16(25)11-27-17(26)10-23-9-14(18(19,20)21)5-6-15(23)24/h5-6,9,12-13H,7-8,10-11H2,1-4H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 390.40 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 55315841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).