[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate

C24H21NO4 — CID 7628104

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H21NO4/c1-16-8-9-17(2)21(14-16)24(28)29-15-22(26)18-10-12-20(13-11-18)25-23(27)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyXLRAPESFLNLKGC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.60
Rot. Bonds6

About [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 7628104) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID7628104
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H21NO4/c1-16-8-9-17(2)21(14-16)24(28)29-15-22(26)18-10-12-20(13-11-18)25-23(27)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyXLRAPESFLNLKGC-UHFFFAOYSA-N
XLogP4.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 40747705
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567867
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 126184955
4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate (CID 7628104) is [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is XLRAPESFLNLKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-8-9-17(2)21(14-16)24(28)29-15-22(26)18-10-12-20(13-11-18)25-23(27)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 387.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 7628104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).