4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide

C25H26N2O5 — CID 11464678

IUPAC4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
SMILESO=C(/C=C(\CC1CCC1)c1cc2ccccc2o1)NCCOc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H26N2O5/c28-24(26-12-13-31-21-10-8-18(9-11-21)25(29)27-30)16-20(14-17-4-3-5-17)23-15-19-6-1-2-7-22(19)32-23/h1-2,6-11,15-17,30H,3-5,12-14H2,(H,26,28)(H,27,29)/b20-16+
InChIKeyRBSYZTXGKKAJDM-CAPFRKAQSA-N
MW434.49 g/mol
LogP4.32
Rot. Bonds9

About 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide

4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide (PubChem CID 11464678) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
PubChem CID11464678
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
SMILESO=C(/C=C(\CC1CCC1)c1cc2ccccc2o1)NCCOc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H26N2O5/c28-24(26-12-13-31-21-10-8-18(9-11-21)25(29)27-30)16-20(14-17-4-3-5-17)23-15-19-6-1-2-7-22(19)32-23/h1-2,6-11,15-17,30H,3-5,12-14H2,(H,26,28)(H,27,29)/b20-16+
InChIKeyRBSYZTXGKKAJDM-CAPFRKAQSA-N
XLogP4.32
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide with MolForge

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Related Compounds

N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide
CID 87108521
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-5-piperidin-4-yloxy-1-benzofuran-2-carboxamide
CID 87642245
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
CID 56588504
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
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-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68735071
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
CID 89213471
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide (CID 11464678) is 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide is O=C(/C=C(\CC1CCC1)c1cc2ccccc2o1)NCCOc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
The InChIKey is RBSYZTXGKKAJDM-CAPFRKAQSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-24(26-12-13-31-21-10-8-18(9-11-21)25(29)27-30)16-20(14-17-4-3-5-17)23-15-19-6-1-2-7-22(19)32-23/h1-2,6-11,15-17,30H,3-5,12-14H2,(H,26,28)(H,27,29)/b20-16+.
What are the key properties of 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide has a molecular weight of 434.49 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide is sourced from PubChem (CID 11464678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).