ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate

C18H18N2O4 — CID 2987385

IUPACethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N2O4/c1-2-24-18(23)17(22)20-15-11-7-6-10-14(15)16(21)19-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyWBFIYZMUCGNSLE-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.12
Rot. Bonds5

About ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate

ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate (PubChem CID 2987385) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate
PubChem CID2987385
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N2O4/c1-2-24-18(23)17(22)20-15-11-7-6-10-14(15)16(21)19-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyWBFIYZMUCGNSLE-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate (CID 2987385) is ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate?
The InChIKey is WBFIYZMUCGNSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-24-18(23)17(22)20-15-11-7-6-10-14(15)16(21)19-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate?
ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate has a molecular weight of 326.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylcarbamoyl)anilino]-2-oxoacetate is sourced from PubChem (CID 2987385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).