N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide

C21H23N3O6 — CID 89213471

IUPACN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1ccc(OCCNC(=O)c2oc3ccccc3c2CNCCO)cc1
InChIInChI=1S/C21H23N3O6/c25-11-9-22-13-17-16-3-1-2-4-18(16)30-19(17)21(27)23-10-12-29-15-7-5-14(6-8-15)20(26)24-28/h1-8,22,25,28H,9-13H2,(H,23,27)(H,24,26)
InChIKeyYHIZNRHEXHPTKN-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.44
Rot. Bonds10

About N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide

N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide (PubChem CID 89213471) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
PubChem CID89213471
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1ccc(OCCNC(=O)c2oc3ccccc3c2CNCCO)cc1
InChIInChI=1S/C21H23N3O6/c25-11-9-22-13-17-16-3-1-2-4-18(16)30-19(17)21(27)23-10-12-29-15-7-5-14(6-8-15)20(26)24-28/h1-8,22,25,28H,9-13H2,(H,23,27)(H,24,26)
InChIKeyYHIZNRHEXHPTKN-UHFFFAOYSA-N
XLogP1.44
TPSA133.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[[2-(hydroxyamino)-2-oxoethyl]amino]methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 87108320
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[2-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 87871102
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87641117
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 42646722
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide
CID 11417658
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 91471027

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide (CID 89213471) is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide is O=C(NO)c1ccc(OCCNC(=O)c2oc3ccccc3c2CNCCO)cc1.
What is the InChIKey of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is YHIZNRHEXHPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c25-11-9-22-13-17-16-3-1-2-4-18(16)30-19(17)21(27)23-10-12-29-15-7-5-14(6-8-15)20(26)24-28/h1-8,22,25,28H,9-13H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide?
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 1.44, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 89213471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).