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

C23H20N2O4 — CID 7229255

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-16(26)24-18-11-13-19(14-12-18)25-22(27)15-29-23(28)21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyRRYSHTUKHCWNBJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.11
Rot. Bonds6

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

[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229255) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229255
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-16(26)24-18-11-13-19(14-12-18)25-22(27)15-29-23(28)21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyRRYSHTUKHCWNBJ-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 3616999
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 2335239
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate (CID 7229255) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is RRYSHTUKHCWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16(26)24-18-11-13-19(14-12-18)25-22(27)15-29-23(28)21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).