[2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate

C13H15NO5 — CID 15616248

IUPAC[2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C13H15NO5/c1-3-14-12(16)8-18-13(17)10-6-4-5-7-11(10)19-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16)
InChIKeyQZTDIROWVCZJJV-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.90
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate

[2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate (PubChem CID 15616248) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate
PubChem CID15616248
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C13H15NO5/c1-3-14-12(16)8-18-13(17)10-6-4-5-7-11(10)19-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16)
InChIKeyQZTDIROWVCZJJV-UHFFFAOYSA-N
XLogP0.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate (CID 15616248) is [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate is CCNC(=O)COC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
The InChIKey is QZTDIROWVCZJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-14-12(16)8-18-13(17)10-6-4-5-7-11(10)19-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
[2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate has a molecular weight of 265.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-acetyloxybenzoate is sourced from PubChem (CID 15616248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).