[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate

C15H21NO4 — CID 71820840

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-19-13-7-5-12(6-8-13)9-15(18)20-10-14(17)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyGRQYOMMCKXIHMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds7

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate (PubChem CID 71820840) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
PubChem CID71820840
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-19-13-7-5-12(6-8-13)9-15(18)20-10-14(17)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyGRQYOMMCKXIHMG-UHFFFAOYSA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate 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] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
CID 16564974
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
CID 7758905
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
2-[[2-(4-ethoxyphenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475810

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate (CID 71820840) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate?
The InChIKey is GRQYOMMCKXIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-19-13-7-5-12(6-8-13)9-15(18)20-10-14(17)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate is sourced from PubChem (CID 71820840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).