[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate

C24H22N2O4 — CID 7654106

IUPAC[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-17(27)25-21-13-11-19(12-14-21)24(29)30-16-23(28)26-22-10-6-5-9-20(22)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyYGQCYOWLSDVQHR-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.03
Rot. Bonds7

About [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate

[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 7654106) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID7654106
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-17(27)25-21-13-11-19(12-14-21)24(29)30-16-23(28)26-22-10-6-5-9-20(22)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyYGQCYOWLSDVQHR-UHFFFAOYSA-N
XLogP4.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-benzylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7671283
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(2-benzylanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 35308448
[2-(2-benzylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123150
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
[2-(2-benzylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 55317751
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2-methylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate
CID 19059156
(2-benzamido-2-oxoethyl) 4-acetamidobenzoate
CID 7949820
[2-(2-benzylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835066
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate (CID 7654106) is [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is YGQCYOWLSDVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17(27)25-21-13-11-19(12-14-21)24(29)30-16-23(28)26-22-10-6-5-9-20(22)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 402.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7654106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).