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

C16H20F3NO3 — CID 14856853

IUPACethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C16H20F3NO3/c1-4-23-15(22)10-20(11(2)3)14(21)9-12-6-5-7-13(8-12)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRBXFPYFMDKREKM-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.05
Rot. Bonds6

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

ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate (PubChem CID 14856853) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate
PubChem CID14856853
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Nameethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C16H20F3NO3/c1-4-23-15(22)10-20(11(2)3)14(21)9-12-6-5-7-13(8-12)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRBXFPYFMDKREKM-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate (CID 14856853) is ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
The InChIKey is RBXFPYFMDKREKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-4-23-15(22)10-20(11(2)3)14(21)9-12-6-5-7-13(8-12)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate?
ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate has a molecular weight of 331.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetate is sourced from PubChem (CID 14856853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).