methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate

C22H19NO4 — CID 1183013

IUPACmethyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)19-9-5-6-10-20(19)23-21(24)15-27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyJATGTNJHDZVKKW-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.16
Rot. Bonds6

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

methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate (PubChem CID 1183013) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
PubChem CID1183013
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)19-9-5-6-10-20(19)23-21(24)15-27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyJATGTNJHDZVKKW-UHFFFAOYSA-N
XLogP4.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241
methyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 1344218
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate (CID 1183013) is methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate?
The InChIKey is JATGTNJHDZVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-22(25)19-9-5-6-10-20(19)23-21(24)15-27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 1183013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).