2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide

C14H18N2O3 — CID 129283193

IUPAC2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide
SMILESCCN(CC)Cc1cc2ccc(C(=O)NO)cc2o1
InChIInChI=1S/C14H18N2O3/c1-3-16(4-2)9-12-7-10-5-6-11(14(17)15-18)8-13(10)19-12/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyCHHLJMWBOLFQCZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds5

About 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide

2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide (PubChem CID 129283193) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide
PubChem CID129283193
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide
SMILESCCN(CC)Cc1cc2ccc(C(=O)NO)cc2o1
InChIInChI=1S/C14H18N2O3/c1-3-16(4-2)9-12-7-10-5-6-11(14(17)15-18)8-13(10)19-12/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyCHHLJMWBOLFQCZ-UHFFFAOYSA-N
XLogP2.39
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide (CID 129283193) is 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide is CCN(CC)Cc1cc2ccc(C(=O)NO)cc2o1.
What is the InChIKey of 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide?
The InChIKey is CHHLJMWBOLFQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-16(4-2)9-12-7-10-5-6-11(14(17)15-18)8-13(10)19-12/h5-8,18H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide?
2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-hydroxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 129283193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).