ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate

C14H18N2O4 — CID 2971816

IUPACethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C14H18N2O4/c1-4-20-14(19)13(18)16-11-8-6-5-7-10(11)12(17)15-9(2)3/h5-9H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJPQMAIROFLYALG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate

ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate (PubChem CID 2971816) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate
PubChem CID2971816
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C14H18N2O4/c1-4-20-14(19)13(18)16-11-8-6-5-7-10(11)12(17)15-9(2)3/h5-9H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJPQMAIROFLYALG-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.33
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-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate?
The IUPAC name of ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate (CID 2971816) is ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate is CCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C.
What is the InChIKey of ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate?
The InChIKey is JPQMAIROFLYALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-20-14(19)13(18)16-11-8-6-5-7-10(11)12(17)15-9(2)3/h5-9H,4H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate?
ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate has a molecular weight of 278.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]acetate is sourced from PubChem (CID 2971816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).