[1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate

C14H19NO4 — CID 2900944

IUPAC[1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
SMILESCCN(CC)C(=O)C(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-4-15(5-2)13(17)10(3)19-14(18)11-6-8-12(16)9-7-11/h6-10,16H,4-5H2,1-3H3
InChIKeyLSPIQGHSKHAHRT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.81
Rot. Bonds5

About [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate

[1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate (PubChem CID 2900944) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
PubChem CID2900944
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
SMILESCCN(CC)C(=O)C(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-4-15(5-2)13(17)10(3)19-14(18)11-6-8-12(16)9-7-11/h6-10,16H,4-5H2,1-3H3
InChIKeyLSPIQGHSKHAHRT-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzoic acid
CID 6497235
4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 825035
4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride
CID 42937492
p-Hydroxybenzoylcholine
CID 151252
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
Ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 2457356
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 2647994
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 4607377
2-(Diethylamino)-2-oxoethyl 4-hydroxybenzoate
CID 2299102
4-(Methoxycarbonyl)phenyl morpholine-4-carboxylate
CID 1080575

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
The IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate (CID 2900944) is [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate.
What is the SMILES notation for [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
The canonical SMILES for [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate is CCN(CC)C(=O)C(C)OC(=O)c1ccc(O)cc1.
What is the InChIKey of [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
The InChIKey is LSPIQGHSKHAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15(5-2)13(17)10(3)19-14(18)11-6-8-12(16)9-7-11/h6-10,16H,4-5H2,1-3H3.
What are the key properties of [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
[1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate is sourced from PubChem (CID 2900944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).