[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate

C17H20F3NO3 — CID 3230486

IUPAC[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO3/c1-11(22)24-15(16(23)21-14-5-3-2-4-6-14)12-7-9-13(10-8-12)17(18,19)20/h7-10,14-15H,2-6H2,1H3,(H,21,23)
InChIKeyKVURYUMPNNUGSK-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.76
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate

[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate (PubChem CID 3230486) has the molecular formula C17H20F3NO3 and a molecular weight of 343.35 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
PubChem CID3230486
Molecular FormulaC17H20F3NO3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO3/c1-11(22)24-15(16(23)21-14-5-3-2-4-6-14)12-7-9-13(10-8-12)17(18,19)20/h7-10,14-15H,2-6H2,1H3,(H,21,23)
InChIKeyKVURYUMPNNUGSK-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate (CID 3230486) is [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
The InChIKey is KVURYUMPNNUGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c1-11(22)24-15(16(23)21-14-5-3-2-4-6-14)12-7-9-13(10-8-12)17(18,19)20/h7-10,14-15H,2-6H2,1H3,(H,21,23).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate has a molecular weight of 343.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate is sourced from PubChem (CID 3230486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).