[2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate

C13H17NO4 — CID 2299102

IUPAC[2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO4/c1-3-14(4-2)12(16)9-18-13(17)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3
InChIKeyHTAGMOFPOLPIOR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.42
Rot. Bonds5

About [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate

[2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2299102) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2299102
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO4/c1-3-14(4-2)12(16)9-18-13(17)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3
InChIKeyHTAGMOFPOLPIOR-UHFFFAOYSA-N
XLogP1.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate (CID 2299102) is [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate is CCN(CC)C(=O)COC(=O)c1ccc(O)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is HTAGMOFPOLPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14(4-2)12(16)9-18-13(17)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 251.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2299102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).