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

C15H19NO5 — CID 15616252

IUPAC[2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C15H19NO5/c1-4-16(5-2)14(18)10-20-15(19)12-8-6-7-9-13(12)21-11(3)17/h6-9H,4-5,10H2,1-3H3
InChIKeyHEFOCUJBDCFYAR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.64
Rot. Bonds6

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

[2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate (PubChem CID 15616252) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate
PubChem CID15616252
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C15H19NO5/c1-4-16(5-2)14(18)10-20-15(19)12-8-6-7-9-13(12)21-11(3)17/h6-9H,4-5,10H2,1-3H3
InChIKeyHEFOCUJBDCFYAR-UHFFFAOYSA-N
XLogP1.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
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-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate (CID 15616252) is [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate is CCN(CC)C(=O)COC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
The InChIKey is HEFOCUJBDCFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-16(5-2)14(18)10-20-15(19)12-8-6-7-9-13(12)21-11(3)17/h6-9H,4-5,10H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate?
[2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-acetyloxybenzoate is sourced from PubChem (CID 15616252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).