[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate

C14H17FN2O4 — CID 7758905

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c1-9(2)16-14(20)17-12(18)8-21-13(19)7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyYANPBFXALMRBKT-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.15
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7758905) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
PubChem CID7758905
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c1-9(2)16-14(20)17-12(18)8-21-13(19)7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyYANPBFXALMRBKT-UHFFFAOYSA-N
XLogP1.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(4-fluorophenyl)acetate
CID 9198812
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid
CID 43214810
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759013
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534486
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613267
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520904
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986851
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758916

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate (CID 7758905) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate is CC(C)NC(=O)NC(=O)COC(=O)Cc1ccc(F)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is YANPBFXALMRBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-9(2)16-14(20)17-12(18)8-21-13(19)7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 296.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7758905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).