[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate

C23H21NO5 — CID 8002666

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H21NO5/c1-27-19-13-8-14-20(28-2)22(19)23(26)29-15-21(25)24-18-12-7-6-11-17(18)16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyZHUMRKRELGNZJV-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.17
Rot. Bonds7

About [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate

[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate (PubChem CID 8002666) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
PubChem CID8002666
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H21NO5/c1-27-19-13-8-14-20(28-2)22(19)23(26)29-15-21(25)24-18-12-7-6-11-17(18)16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyZHUMRKRELGNZJV-UHFFFAOYSA-N
XLogP4.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(2-iodoanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2636059
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
[2-oxo-2-(2-phenylanilino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501437
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2,6-dimethoxybenzoate
CID 42971973
[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
CID 16521982
[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667150
[2-oxo-2-(2-phenylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791870
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate (CID 8002666) is [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate?
The InChIKey is ZHUMRKRELGNZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-19-13-8-14-20(28-2)22(19)23(26)29-15-21(25)24-18-12-7-6-11-17(18)16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate?
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate has a molecular weight of 391.42 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 8002666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).