phenacyl 3-(dimethylamino)benzoate

C17H17NO3 — CID 624872

IUPACphenacyl 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-18(2)15-10-6-9-14(11-15)17(20)21-12-16(19)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyQVQZYNUIIKYFEE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.79
Rot. Bonds5

About phenacyl 3-(dimethylamino)benzoate

phenacyl 3-(dimethylamino)benzoate (PubChem CID 624872) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is phenacyl 3-(dimethylamino)benzoate.

Molecular Properties

Compound Namephenacyl 3-(dimethylamino)benzoate
PubChem CID624872
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namephenacyl 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-18(2)15-10-6-9-14(11-15)17(20)21-12-16(19)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyQVQZYNUIIKYFEE-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
[2-(benzylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2350078
2-phenylethyl 3-(dimethylamino)benzoate
CID 68590788
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518674
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8530122
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(dimethylamino)benzoate
CID 7594646
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518580
[2-[3-(dimethylamino)benzoyl]oxyethyl-methylamino]methanedithiolate;gold
CID 58131310
[2-oxo-2-(pentylamino)ethyl] 3-(dimethylamino)benzoate
CID 9228871

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(dimethylamino)benzoate?
The IUPAC name of phenacyl 3-(dimethylamino)benzoate (CID 624872) is phenacyl 3-(dimethylamino)benzoate.
What is the SMILES notation for phenacyl 3-(dimethylamino)benzoate?
The canonical SMILES for phenacyl 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCC(=O)c2ccccc2)c1.
What is the InChIKey of phenacyl 3-(dimethylamino)benzoate?
The InChIKey is QVQZYNUIIKYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(2)15-10-6-9-14(11-15)17(20)21-12-16(19)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3.
What are the key properties of phenacyl 3-(dimethylamino)benzoate?
phenacyl 3-(dimethylamino)benzoate has a molecular weight of 283.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(dimethylamino)benzoate is sourced from PubChem (CID 624872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).