ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate

C14H22F3NO5 — CID 155102596

IUPACethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate
SMILESCCOC(=O)CCC(C)(C)N(CC(=O)OCC)C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3NO5/c1-5-22-10(19)7-8-13(3,4)18(9-11(20)23-6-2)12(21)14(15,16)17/h5-9H2,1-4H3
InChIKeyYRJGJOJRCFTIHK-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.06
Rot. Bonds8

About ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate

ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate (PubChem CID 155102596) has the molecular formula C14H22F3NO5 and a molecular weight of 341.33 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate
PubChem CID155102596
Molecular FormulaC14H22F3NO5
Molecular Weight341.33 g/mol
Exact Mass341.15
IUPAC Nameethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate
SMILESCCOC(=O)CCC(C)(C)N(CC(=O)OCC)C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3NO5/c1-5-22-10(19)7-8-13(3,4)18(9-11(20)23-6-2)12(21)14(15,16)17/h5-9H2,1-4H3
InChIKeyYRJGJOJRCFTIHK-UHFFFAOYSA-N
XLogP2.06
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate 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 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate?
The IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate (CID 155102596) is ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate.
What is the SMILES notation for ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate?
The canonical SMILES for ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate is CCOC(=O)CCC(C)(C)N(CC(=O)OCC)C(=O)C(F)(F)F.
What is the InChIKey of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate?
The InChIKey is YRJGJOJRCFTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO5/c1-5-22-10(19)7-8-13(3,4)18(9-11(20)23-6-2)12(21)14(15,16)17/h5-9H2,1-4H3.
What are the key properties of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate?
ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate has a molecular weight of 341.33 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-4-methylpentanoate is sourced from PubChem (CID 155102596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).