4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide

C16H20N2O5 — CID 126828439

IUPAC4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)c1coc2cccc(O)c12
InChIInChI=1S/C16H20N2O5/c19-11(9-18-4-6-22-7-5-18)8-17-16(21)12-10-23-14-3-1-2-13(20)15(12)14/h1-3,10-11,19-20H,4-9H2,(H,17,21)
InChIKeyINIRFRRIRGEUAN-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.56
Rot. Bonds5

About 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide

4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide (PubChem CID 126828439) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
PubChem CID126828439
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)c1coc2cccc(O)c12
InChIInChI=1S/C16H20N2O5/c19-11(9-18-4-6-22-7-5-18)8-17-16(21)12-10-23-14-3-1-2-13(20)15(12)14/h1-3,10-11,19-20H,4-9H2,(H,17,21)
InChIKeyINIRFRRIRGEUAN-UHFFFAOYSA-N
XLogP0.56
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide (CID 126828439) is 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide is O=C(NCC(O)CN1CCOCC1)c1coc2cccc(O)c12.
What is the InChIKey of 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide?
The InChIKey is INIRFRRIRGEUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-11(9-18-4-6-22-7-5-18)8-17-16(21)12-10-23-14-3-1-2-13(20)15(12)14/h1-3,10-11,19-20H,4-9H2,(H,17,21).
What are the key properties of 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide?
4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126828439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).