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

C23H21NO5 — CID 7950516

IUPACmethyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-27-23(26)18-7-9-19(10-8-18)24-22(25)16-29-21-13-11-20(12-14-21)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyMEHZGDBJQOSKHA-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.07
Rot. Bonds8

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

methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate (PubChem CID 7950516) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
PubChem CID7950516
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Namemethyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-27-23(26)18-7-9-19(10-8-18)24-22(25)16-29-21-13-11-20(12-14-21)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyMEHZGDBJQOSKHA-UHFFFAOYSA-N
XLogP4.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
CID 2356513
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 112977838
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate (CID 7950516) is methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is MEHZGDBJQOSKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-23(26)18-7-9-19(10-8-18)24-22(25)16-29-21-13-11-20(12-14-21)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate?
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 391.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7950516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).