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

C17H20F3NO3 — CID 2343958

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-6-4-5-12(9-13)10-16(23)24-11-15(22)21-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,21,22)
InChIKeyRESCECHWTPVUHT-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.24
Rot. Bonds5

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

[2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2343958) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2343958
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-6-4-5-12(9-13)10-16(23)24-11-15(22)21-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,21,22)
InChIKeyRESCECHWTPVUHT-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2343958) is [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is RESCECHWTPVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)13-6-4-5-12(9-13)10-16(23)24-11-15(22)21-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,21,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 343.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2343958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).