[2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C18H22FNO4 — CID 2417977

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C18H22FNO4/c19-14-8-6-13(7-9-14)16(21)10-11-18(23)24-12-17(22)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,20,22)
InChIKeyFHSSVZIBJIQTCL-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.78
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2417977) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2417977
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C18H22FNO4/c19-14-8-6-13(7-9-14)16(21)10-11-18(23)24-12-17(22)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,20,22)
InChIKeyFHSSVZIBJIQTCL-UHFFFAOYSA-N
XLogP2.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2417977) is [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is FHSSVZIBJIQTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4/c19-14-8-6-13(7-9-14)16(21)10-11-18(23)24-12-17(22)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,20,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 335.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2417977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).