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

C11H13NO3 — CID 14033046

IUPAC[2-(dimethylamino)-2-oxoethyl] benzoate
SMILESCN(C)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-12(2)10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyWKIMLEWQZUKSJM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.93
Rot. Bonds3

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

[2-(dimethylamino)-2-oxoethyl] benzoate (PubChem CID 14033046) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] benzoate
PubChem CID14033046
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[2-(dimethylamino)-2-oxoethyl] benzoate
SMILESCN(C)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-12(2)10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyWKIMLEWQZUKSJM-UHFFFAOYSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Amylocaine
CID 10767
Amyleine hydrochloride
CID 10766
Benzoylcholine chloride
CID 76298
Amydricaine
CID 12428
2-Dimethylaminoethyl benzoate
CID 75158
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 197768
Benzoic acid, acetylmethyl ester
CID 23137
Ethanaminium, N,N,N-trimethyl-2-((2-methylbenzoyl)oxy)-, iodide (1:1)
CID 193633
Benzoylcholine
CID 16632
[2-(Cyclopropylamino)-2-oxoethyl] 3-fluorobenzoate
CID 2100132
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2334847

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] benzoate (CID 14033046) is [2-(dimethylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] benzoate is CN(C)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] benzoate?
The InChIKey is WKIMLEWQZUKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12(2)10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] benzoate?
[2-(dimethylamino)-2-oxoethyl] benzoate has a molecular weight of 207.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).