[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate

C24H20N2O5 — CID 2621873

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O5/c1-16(27)25-18-11-13-19(14-12-18)26-22(28)15-31-24(30)21-10-6-5-9-20(21)23(29)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeySMWMGFIHNISRIZ-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.67
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2621873) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2621873
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O5/c1-16(27)25-18-11-13-19(14-12-18)26-22(28)15-31-24(30)21-10-6-5-9-20(21)23(29)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeySMWMGFIHNISRIZ-UHFFFAOYSA-N
XLogP3.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621778
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2335269
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7865594
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate (CID 2621873) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is SMWMGFIHNISRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-16(27)25-18-11-13-19(14-12-18)26-22(28)15-31-24(30)21-10-6-5-9-20(21)23(29)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 416.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2621873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).