methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate

C22H19NO4 — CID 7763998

IUPACmethyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)18-12-6-8-14-20(18)27-15-21(24)23-19-13-7-5-11-17(19)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyVOIRUEUXCDOEKB-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.16
Rot. Bonds6

About methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate

methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate (PubChem CID 7763998) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
PubChem CID7763998
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)18-12-6-8-14-20(18)27-15-21(24)23-19-13-7-5-11-17(19)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyVOIRUEUXCDOEKB-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-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
CID 2233417
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate?
The IUPAC name of methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate (CID 7763998) is methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate?
The InChIKey is VOIRUEUXCDOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-22(25)18-12-6-8-14-20(18)27-15-21(24)23-19-13-7-5-11-17(19)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate?
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]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-oxo-2-(2-phenylanilino)ethoxy]benzoate is sourced from PubChem (CID 7763998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).