methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate

C24H22N2O5 — CID 7919593

IUPACmethyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-30-24(29)18-13-11-17(12-14-18)15-25-22(27)16-31-21-10-6-5-9-20(21)23(28)26-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyYHXRVAWRHPZNBA-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.42
Rot. Bonds8

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

methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate (PubChem CID 7919593) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
PubChem CID7919593
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Namemethyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-30-24(29)18-13-11-17(12-14-18)15-25-22(27)16-31-21-10-6-5-9-20(21)23(28)26-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyYHXRVAWRHPZNBA-UHFFFAOYSA-N
XLogP3.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 174959966
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 60529536
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
2-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethoxy]-N-phenylbenzamide
CID 7981006
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate (CID 7919593) is methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate?
The InChIKey is YHXRVAWRHPZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-30-24(29)18-13-11-17(12-14-18)15-25-22(27)16-31-21-10-6-5-9-20(21)23(28)26-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate?
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate has a molecular weight of 418.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate is sourced from PubChem (CID 7919593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).