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

C13H17NO3 — CID 14033050

IUPAC[2-(diethylamino)-2-oxoethyl] benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)12(15)10-17-13(16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyMTAAHMQCSJMGHI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.71
Rot. Bonds5

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

[2-(diethylamino)-2-oxoethyl] benzoate (PubChem CID 14033050) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] benzoate
PubChem CID14033050
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[2-(diethylamino)-2-oxoethyl] benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)12(15)10-17-13(16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyMTAAHMQCSJMGHI-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] benzoate (CID 14033050) is [2-(diethylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] benzoate is CCN(CC)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] benzoate?
The InChIKey is MTAAHMQCSJMGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14(4-2)12(15)10-17-13(16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] benzoate?
[2-(diethylamino)-2-oxoethyl] benzoate has a molecular weight of 235.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).