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

C18H18N2O4 — CID 2378879

IUPAC[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H18N2O4/c1-12-5-3-4-6-16(12)20-17(22)11-24-18(23)14-7-9-15(10-8-14)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPJTQITSBXBDKIZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.75
Rot. Bonds5

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

[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 2378879) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID2378879
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H18N2O4/c1-12-5-3-4-6-16(12)20-17(22)11-24-18(23)14-7-9-15(10-8-14)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPJTQITSBXBDKIZ-UHFFFAOYSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate
CID 19059156
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548765
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(2-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538290
[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654106
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654281
[2-(2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678252
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2-methylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386498
[2-(2-methylanilino)-2-oxoethyl] 4-imidazol-1-ylbenzoate
CID 75434284
[2-(2-methylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2336459
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate (CID 2378879) is [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is PJTQITSBXBDKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-5-3-4-6-16(12)20-17(22)11-24-18(23)14-7-9-15(10-8-14)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 326.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 2378879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).