[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate

C24H22N2O4 — CID 7569925

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H22N2O4/c1-26(2)21-10-6-9-19(15-21)24(29)30-16-22(27)17-11-13-20(14-12-17)25-23(28)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyTUEGCHVOTDYTAU-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.04
Rot. Bonds7

About [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate

[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate (PubChem CID 7569925) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
PubChem CID7569925
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H22N2O4/c1-26(2)21-10-6-9-19(15-21)24(29)30-16-22(27)17-11-13-20(14-12-17)25-23(28)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyTUEGCHVOTDYTAU-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 3-(dimethylamino)benzoate
CID 624872
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7628104
[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16569415
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
CID 16645357
[2-(benzylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2350078
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate (CID 7569925) is [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate?
The InChIKey is TUEGCHVOTDYTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-26(2)21-10-6-9-19(15-21)24(29)30-16-22(27)17-11-13-20(14-12-17)25-23(28)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,25,28).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate?
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate has a molecular weight of 402.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 7569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).