bis(2-benzamidoethyl) furan-2,5-dicarboxylate

C24H22N2O7 — CID 2927045

IUPACbis(2-benzamidoethyl) furan-2,5-dicarboxylate
SMILESO=C(NCCOC(=O)c1ccc(C(=O)OCCNC(=O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C24H22N2O7/c27-21(17-7-3-1-4-8-17)25-13-15-31-23(29)19-11-12-20(33-19)24(30)32-16-14-26-22(28)18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,27)(H,26,28)
InChIKeyZMGOCXAFYXMQEW-UHFFFAOYSA-N
MW450.45 g/mol
LogP2.45
Rot. Bonds10

About bis(2-benzamidoethyl) furan-2,5-dicarboxylate

bis(2-benzamidoethyl) furan-2,5-dicarboxylate (PubChem CID 2927045) has the molecular formula C24H22N2O7 and a molecular weight of 450.45 g/mol. Its IUPAC name is bis(2-benzamidoethyl) furan-2,5-dicarboxylate.

Molecular Properties

Compound Namebis(2-benzamidoethyl) furan-2,5-dicarboxylate
PubChem CID2927045
Molecular FormulaC24H22N2O7
Molecular Weight450.45 g/mol
Exact Mass450.14
IUPAC Namebis(2-benzamidoethyl) furan-2,5-dicarboxylate
SMILESO=C(NCCOC(=O)c1ccc(C(=O)OCCNC(=O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C24H22N2O7/c27-21(17-7-3-1-4-8-17)25-13-15-31-23(29)19-11-12-20(33-19)24(30)32-16-14-26-22(28)18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,27)(H,26,28)
InChIKeyZMGOCXAFYXMQEW-UHFFFAOYSA-N
XLogP2.45
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-benzamidoethyl) furan-2,5-dicarboxylate?
The IUPAC name of bis(2-benzamidoethyl) furan-2,5-dicarboxylate (CID 2927045) is bis(2-benzamidoethyl) furan-2,5-dicarboxylate.
What is the SMILES notation for bis(2-benzamidoethyl) furan-2,5-dicarboxylate?
The canonical SMILES for bis(2-benzamidoethyl) furan-2,5-dicarboxylate is O=C(NCCOC(=O)c1ccc(C(=O)OCCNC(=O)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of bis(2-benzamidoethyl) furan-2,5-dicarboxylate?
The InChIKey is ZMGOCXAFYXMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7/c27-21(17-7-3-1-4-8-17)25-13-15-31-23(29)19-11-12-20(33-19)24(30)32-16-14-26-22(28)18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,27)(H,26,28).
What are the key properties of bis(2-benzamidoethyl) furan-2,5-dicarboxylate?
bis(2-benzamidoethyl) furan-2,5-dicarboxylate has a molecular weight of 450.45 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzamidoethyl) furan-2,5-dicarboxylate is sourced from PubChem (CID 2927045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).