methyl 2-oxo-2-(4-phenoxyanilino)acetate

C15H13NO4 — CID 53359368

IUPACmethyl 2-oxo-2-(4-phenoxyanilino)acetate
SMILESCOC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c1-19-15(18)14(17)16-11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17)
InChIKeyXRGWCVXYAUMRFF-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.59
Rot. Bonds3

About methyl 2-oxo-2-(4-phenoxyanilino)acetate

methyl 2-oxo-2-(4-phenoxyanilino)acetate (PubChem CID 53359368) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 2-oxo-2-(4-phenoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(4-phenoxyanilino)acetate
PubChem CID53359368
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-oxo-2-(4-phenoxyanilino)acetate
SMILESCOC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c1-19-15(18)14(17)16-11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17)
InChIKeyXRGWCVXYAUMRFF-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
phenoxybenzene;N-phenylacetamide
CID 174350344
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(4-phenoxyanilino)acetate?
The IUPAC name of methyl 2-oxo-2-(4-phenoxyanilino)acetate (CID 53359368) is methyl 2-oxo-2-(4-phenoxyanilino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(4-phenoxyanilino)acetate?
The canonical SMILES for methyl 2-oxo-2-(4-phenoxyanilino)acetate is COC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl 2-oxo-2-(4-phenoxyanilino)acetate?
The InChIKey is XRGWCVXYAUMRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-15(18)14(17)16-11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17).
What are the key properties of methyl 2-oxo-2-(4-phenoxyanilino)acetate?
methyl 2-oxo-2-(4-phenoxyanilino)acetate has a molecular weight of 271.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(4-phenoxyanilino)acetate is sourced from PubChem (CID 53359368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).