methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate

C23H19NO5 — CID 2592757

IUPACmethyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H19NO5/c1-28-23(27)18-8-5-9-19(14-18)24-21(25)15-29-20-12-10-17(11-13-20)22(26)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,25)
InChIKeyZKPLWRGHXLDZQG-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.72
Rot. Bonds7

About methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate

methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate (PubChem CID 2592757) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
PubChem CID2592757
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namemethyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H19NO5/c1-28-23(27)18-8-5-9-19(14-18)24-21(25)15-29-20-12-10-17(11-13-20)22(26)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,25)
InChIKeyZKPLWRGHXLDZQG-UHFFFAOYSA-N
XLogP3.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[2-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18290502
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
methyl 3-[2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18288418
methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
CID 112978710
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
CID 29405129
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate (CID 2592757) is methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate?
The InChIKey is ZKPLWRGHXLDZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-23(27)18-8-5-9-19(14-18)24-21(25)15-29-20-12-10-17(11-13-20)22(26)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate?
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 2592757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).