ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate

C23H22N2O4 — CID 109010741

IUPACethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-28-23(27)20-10-6-7-11-21(20)24-16-22(26)25-17-12-14-19(15-13-17)29-18-8-4-3-5-9-18/h3-15,24H,2,16H2,1H3,(H,25,26)
InChIKeyOUNUFDXNYCBTKP-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.71
Rot. Bonds8

About ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate

ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate (PubChem CID 109010741) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
PubChem CID109010741
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-28-23(27)20-10-6-7-11-21(20)24-16-22(26)25-17-12-14-19(15-13-17)29-18-8-4-3-5-9-18/h3-15,24H,2,16H2,1H3,(H,25,26)
InChIKeyOUNUFDXNYCBTKP-UHFFFAOYSA-N
XLogP4.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzoate
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ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
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2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
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2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
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ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
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2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
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CID 108501758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate (CID 109010741) is ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate?
The InChIKey is OUNUFDXNYCBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-28-23(27)20-10-6-7-11-21(20)24-16-22(26)25-17-12-14-19(15-13-17)29-18-8-4-3-5-9-18/h3-15,24H,2,16H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate?
ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate is sourced from PubChem (CID 109010741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).