[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate

C16H23NO5 — CID 16535255

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23NO5/c1-4-20-13-5-7-14(8-6-13)21-10-9-16(19)22-11-15(18)17-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyABMCOHSJTMFZQJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.92
Rot. Bonds9

About [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate

[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 16535255) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID16535255
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23NO5/c1-4-20-13-5-7-14(8-6-13)21-10-9-16(19)22-11-15(18)17-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyABMCOHSJTMFZQJ-UHFFFAOYSA-N
XLogP1.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55525266
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
CID 107669047
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 3293025

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate (CID 16535255) is [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is ABMCOHSJTMFZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-20-13-5-7-14(8-6-13)21-10-9-16(19)22-11-15(18)17-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 309.36 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 16535255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).