[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate

C15H20N2O5 — CID 4876008

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-11(2)16-15(20)17-13(18)10-22-14(19)8-9-21-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyXUPXDBMYWKFNHG-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.23
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate (PubChem CID 4876008) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
PubChem CID4876008
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-11(2)16-15(20)17-13(18)10-22-14(19)8-9-21-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyXUPXDBMYWKFNHG-UHFFFAOYSA-N
XLogP1.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 3293025
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(3-methylphenoxy)butanoate
CID 7148006
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55366862
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate (CID 4876008) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate is CC(C)NC(=O)NC(=O)COC(=O)CCOc1ccccc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate?
The InChIKey is XUPXDBMYWKFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-11(2)16-15(20)17-13(18)10-22-14(19)8-9-21-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate has a molecular weight of 308.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate is sourced from PubChem (CID 4876008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).