methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate

C22H18N2O5 — CID 44999634

IUPACmethyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-28-22(27)15-7-9-16(10-8-15)23-20(25)21(26)24-17-11-13-19(14-12-17)29-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,25)(H,24,26)
InChIKeyUFZOGEWFYRBCLQ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.84
Rot. Bonds5

About methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate

methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate (PubChem CID 44999634) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
PubChem CID44999634
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Namemethyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-28-22(27)15-7-9-16(10-8-15)23-20(25)21(26)24-17-11-13-19(14-12-17)29-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,25)(H,24,26)
InChIKeyUFZOGEWFYRBCLQ-UHFFFAOYSA-N
XLogP3.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate (CID 44999634) is methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate?
The InChIKey is UFZOGEWFYRBCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-28-22(27)15-7-9-16(10-8-15)23-20(25)21(26)24-17-11-13-19(14-12-17)29-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate?
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate has a molecular weight of 390.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate is sourced from PubChem (CID 44999634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).