ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

C19H18N2O5 — CID 2891665

IUPACethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NN)cc12
InChIInChI=1S/C19H18N2O5/c1-2-24-19(23)17-14-10-13(25-11-16(22)21-20)8-9-15(14)26-18(17)12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,22)
InChIKeyKIWCXSRCAQBJBB-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.65
Rot. Bonds6

About ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 2891665) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID2891665
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Nameethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NN)cc12
InChIInChI=1S/C19H18N2O5/c1-2-24-19(23)17-14-10-13(25-11-16(22)21-20)8-9-15(14)26-18(17)12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,22)
InChIKeyKIWCXSRCAQBJBB-UHFFFAOYSA-N
XLogP2.65
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate (CID 2891665) is ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NN)cc12.
What is the InChIKey of ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is KIWCXSRCAQBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-24-19(23)17-14-10-13(25-11-16(22)21-20)8-9-15(14)26-18(17)12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,22).
What are the key properties of ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 2891665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).