[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate

C25H22N2O5 — CID 42976841

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C25H22N2O5/c1-16-6-5-7-19(14-16)24(30)27-22-9-4-3-8-21(22)25(31)32-15-23(29)18-10-12-20(13-11-18)26-17(2)28/h3-14H,15H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyWPWMUOJYNYXUPS-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.25
Rot. Bonds7

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 42976841) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
PubChem CID42976841
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C25H22N2O5/c1-16-6-5-7-19(14-16)24(30)27-22-9-4-3-8-21(22)25(31)32-15-23(29)18-10-12-20(13-11-18)26-17(2)28/h3-14H,15H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyWPWMUOJYNYXUPS-UHFFFAOYSA-N
XLogP4.25
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 27354846
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 955166
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885301
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7628104
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2415194
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate (CID 42976841) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is WPWMUOJYNYXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16-6-5-7-19(14-16)24(30)27-22-9-4-3-8-21(22)25(31)32-15-23(29)18-10-12-20(13-11-18)26-17(2)28/h3-14H,15H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 430.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 42976841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).