ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate

C16H17F6NO3 — CID 14856859

IUPACethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C(F)(F)F
InChIInChI=1S/C16H17F6NO3/c1-3-26-14(25)9-23(10(2)15(17,18)19)13(24)8-11-5-4-6-12(7-11)16(20,21)22/h4-7,10H,3,8-9H2,1-2H3
InChIKeySJWYVNMYSDCEJL-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.59
Rot. Bonds6

About ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate

ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate (PubChem CID 14856859) has the molecular formula C16H17F6NO3 and a molecular weight of 385.30 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate
PubChem CID14856859
Molecular FormulaC16H17F6NO3
Molecular Weight385.30 g/mol
Exact Mass385.11
IUPAC Nameethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C(F)(F)F
InChIInChI=1S/C16H17F6NO3/c1-3-26-14(25)9-23(10(2)15(17,18)19)13(24)8-11-5-4-6-12(7-11)16(20,21)22/h4-7,10H,3,8-9H2,1-2H3
InChIKeySJWYVNMYSDCEJL-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)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

Related Compounds

ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 54176693
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
ethyl 2-[2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetate
CID 151007121
ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
CID 87761081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate (CID 14856859) is ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C(F)(F)F.
What is the InChIKey of ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate?
The InChIKey is SJWYVNMYSDCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6NO3/c1-3-26-14(25)9-23(10(2)15(17,18)19)13(24)8-11-5-4-6-12(7-11)16(20,21)22/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate?
ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate has a molecular weight of 385.30 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate is sourced from PubChem (CID 14856859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).