[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate

C18H19N3O4 — CID 7953752

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19N3O4/c1-12(22)20-13-7-9-14(10-8-13)21-17(23)11-25-18(24)15-5-3-4-6-16(15)19-2/h3-10,19H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZDRYRMYKVHODEU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.48
Rot. Bonds6

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7953752) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7953752
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19N3O4/c1-12(22)20-13-7-9-14(10-8-13)21-17(23)11-25-18(24)15-5-3-4-6-16(15)19-2/h3-10,19H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZDRYRMYKVHODEU-UHFFFAOYSA-N
XLogP2.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542848
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542838
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7373054
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7372998
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671256

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate (CID 7953752) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is ZDRYRMYKVHODEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)20-13-7-9-14(10-8-13)21-17(23)11-25-18(24)15-5-3-4-6-16(15)19-2/h3-10,19H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 341.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 7953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).