[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate

C15H19FN2O4 — CID 8553142

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4/c1-2-9-17-15(21)18-13(19)10-22-14(20)8-5-11-3-6-12(16)7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H2,17,18,19,21)
InChIKeyKHEJVWWKXRVPHN-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.54
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate (PubChem CID 8553142) has the molecular formula C15H19FN2O4 and a molecular weight of 310.33 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
PubChem CID8553142
Molecular FormulaC15H19FN2O4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4/c1-2-9-17-15(21)18-13(19)10-22-14(20)8-5-11-3-6-12(16)7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H2,17,18,19,21)
InChIKeyKHEJVWWKXRVPHN-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776426
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848821
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525761
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-methylprop-2-enyl 3-(4-fluorophenyl)propanoate
CID 78833084
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate (CID 8553142) is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate is CCCNC(=O)NC(=O)COC(=O)CCc1ccc(F)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate?
The InChIKey is KHEJVWWKXRVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-2-9-17-15(21)18-13(19)10-22-14(20)8-5-11-3-6-12(16)7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate has a molecular weight of 310.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 8553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).