[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate

C20H23NO4 — CID 55308373

IUPAC[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-21(4-2)19(22)15-25-20(23)17-12-10-16(11-13-17)14-24-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3
InChIKeyZGHVOQBDUVCWMT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.29
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate

[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate (PubChem CID 55308373) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
PubChem CID55308373
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-21(4-2)19(22)15-25-20(23)17-12-10-16(11-13-17)14-24-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3
InChIKeyZGHVOQBDUVCWMT-UHFFFAOYSA-N
XLogP3.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133527
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(phenoxymethyl)benzoate
CID 7239727
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
(4-ethoxyphenyl)methyl benzoate
CID 91595481
[2-(dimethylamino)-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate
CID 8815818
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239775

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate (CID 55308373) is [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate is CCN(CC)C(=O)COC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The InChIKey is ZGHVOQBDUVCWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-21(4-2)19(22)15-25-20(23)17-12-10-16(11-13-17)14-24-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 55308373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).