ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate

C22H20N2O5 — CID 109054059

IUPACethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C22H20N2O5/c1-2-28-22(27)15-8-10-18(11-9-15)24-21(26)17-6-3-5-16(13-17)20(25)23-14-19-7-4-12-29-19/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIZIUQFBDSAZTLI-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.64
Rot. Bonds7

About ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate

ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109054059) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109054059
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Nameethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C22H20N2O5/c1-2-28-22(27)15-8-10-18(11-9-15)24-21(26)17-6-3-5-16(13-17)20(25)23-14-19-7-4-12-29-19/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIZIUQFBDSAZTLI-UHFFFAOYSA-N
XLogP3.64
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
3-(2-ethoxyethoxy)-N-[4-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 28638494
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109187796
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104924
ethyl 4-[[3-(3-methylbutylcarbamoyl)benzoyl]amino]benzoate
CID 109056240
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate (CID 109054059) is ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is IZIUQFBDSAZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-2-28-22(27)15-8-10-18(11-9-15)24-21(26)17-6-3-5-16(13-17)20(25)23-14-19-7-4-12-29-19/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate?
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 392.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109054059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).