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

C19H21NO4 — CID 7133527

IUPAC[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-20(4-2)18(22)13-24-19(23)16-7-5-14(6-8-16)15-9-11-17(21)12-10-15/h5-12,21H,3-4,13H2,1-2H3
InChIKeySQMDTOMIAKQZRJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.08
Rot. Bonds6

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

[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7133527) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7133527
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-20(4-2)18(22)13-24-19(23)16-7-5-14(6-8-16)15-9-11-17(21)12-10-15/h5-12,21H,3-4,13H2,1-2H3
InChIKeySQMDTOMIAKQZRJ-UHFFFAOYSA-N
XLogP3.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 55308373
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
[2-(diethylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
CID 55102737
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
[2-(butylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2645186
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133503
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 7133527) is [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is CCN(CC)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is SQMDTOMIAKQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-20(4-2)18(22)13-24-19(23)16-7-5-14(6-8-16)15-9-11-17(21)12-10-15/h5-12,21H,3-4,13H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.08, 6 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-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7133527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).