[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate

C15H19NO5 — CID 8709346

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C15H19NO5/c1-3-14(18)16-12-7-5-11(6-8-12)13(17)9-21-15(19)10-20-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyOPAWLTGTDZYKKA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.80
Rot. Bonds8

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate (PubChem CID 8709346) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
PubChem CID8709346
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C15H19NO5/c1-3-14(18)16-12-7-5-11(6-8-12)13(17)9-21-15(19)10-20-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyOPAWLTGTDZYKKA-UHFFFAOYSA-N
XLogP1.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829152
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885928
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932317
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 9172199
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 46680941

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate (CID 8709346) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)c1ccc(NC(=O)CC)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate?
The InChIKey is OPAWLTGTDZYKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-14(18)16-12-7-5-11(6-8-12)13(17)9-21-15(19)10-20-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate has a molecular weight of 293.32 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate is sourced from PubChem (CID 8709346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).