4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide

C16H20N2O5 — CID 155441734

IUPAC4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide
SMILESCOCCN(C)CCNC(=O)c1cc2c(C=O)c(O)ccc2o1
InChIInChI=1S/C16H20N2O5/c1-18(7-8-22-2)6-5-17-16(21)15-9-11-12(10-19)13(20)3-4-14(11)23-15/h3-4,9-10,20H,5-8H2,1-2H3,(H,17,21)
InChIKeyHXEWFOZOXMSQCA-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.26
Rot. Bonds8

About 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide

4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 155441734) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID155441734
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide
SMILESCOCCN(C)CCNC(=O)c1cc2c(C=O)c(O)ccc2o1
InChIInChI=1S/C16H20N2O5/c1-18(7-8-22-2)6-5-17-16(21)15-9-11-12(10-19)13(20)3-4-14(11)23-15/h3-4,9-10,20H,5-8H2,1-2H3,(H,17,21)
InChIKeyHXEWFOZOXMSQCA-UHFFFAOYSA-N
XLogP1.26
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide (CID 155441734) is 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide is COCCN(C)CCNC(=O)c1cc2c(C=O)c(O)ccc2o1.
What is the InChIKey of 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is HXEWFOZOXMSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-18(7-8-22-2)6-5-17-16(21)15-9-11-12(10-19)13(20)3-4-14(11)23-15/h3-4,9-10,20H,5-8H2,1-2H3,(H,17,21).
What are the key properties of 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide?
4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155441734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).