[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C19H24FNO4 — CID 3608531

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C19H24FNO4/c1-21(16-5-3-2-4-6-16)18(23)13-25-19(24)12-11-17(22)14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3
InChIKeyIWZQBINFIFKHCZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.12
Rot. Bonds7

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 3608531) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID3608531
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C19H24FNO4/c1-21(16-5-3-2-4-6-16)18(23)13-25-19(24)12-11-17(22)14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3
InChIKeyIWZQBINFIFKHCZ-UHFFFAOYSA-N
XLogP3.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-2-oxoethyl [(phenylacetyl)amino]acetate
CID 1615713
[2-[Benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2356128
[2-(Cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417977
[2-(Tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2433057
[2-(4-Fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4782893
phenacyl (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 16242505
2-oxo-2-phenylethyl N-acetylphenylalaninate
CID 2914367
[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2429922
[2-(Butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432456
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2380919
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2418193
[2-(Ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432458

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 3608531) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is IWZQBINFIFKHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-21(16-5-3-2-4-6-16)18(23)13-25-19(24)12-11-17(22)14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 349.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 3608531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).