4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide

C27H26N2O6 — CID 18468240

IUPAC4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide
SMILESO=C(NCCC(OCOCc1ccccc1)C(=O)NO)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C27H26N2O6/c30-26(21-12-10-20(11-13-21)25-16-22-8-4-5-9-23(22)35-25)28-15-14-24(27(31)29-32)34-18-33-17-19-6-2-1-3-7-19/h1-13,16,24,32H,14-15,17-18H2,(H,28,30)(H,29,31)
InChIKeyGHSYTTUDMYEMCB-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.28
Rot. Bonds11

About 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide

4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide (PubChem CID 18468240) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide
PubChem CID18468240
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC Name4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide
SMILESO=C(NCCC(OCOCc1ccccc1)C(=O)NO)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C27H26N2O6/c30-26(21-12-10-20(11-13-21)25-16-22-8-4-5-9-23(22)35-25)28-15-14-24(27(31)29-32)34-18-33-17-19-6-2-1-3-7-19/h1-13,16,24,32H,14-15,17-18H2,(H,28,30)(H,29,31)
InChIKeyGHSYTTUDMYEMCB-UHFFFAOYSA-N
XLogP4.28
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide
CID 59901643
(3S)-4-[[4-(1-benzofuran-2-yl)benzoyl]amino]-3-hydroxybutanoic acid
CID 22093535
3-[[4-[1-[4-(1-benzofuran-2-yl)phenyl]hexan-2-ylamino]benzoyl]amino]propanoic acid
CID 146224351
2-[[4-[1-[4-(1-benzofuran-2-yl)anilino]-1-oxooctan-2-yl]oxybenzoyl]amino]ethyl-methylphosphinic acid
CID 90139564
3-[[4-[[(2S)-1-[4-(1-benzofuran-2-yl)anilino]-1-oxohexan-2-yl]amino]benzoyl]amino]propanoic acid
CID 146239959
3-[[4-[[(2S)-1-[4-(1-benzofuran-2-yl)anilino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]benzoyl]amino]propanoic acid
CID 146224122
2-[[4-[3-[4-(1-benzofuran-2-yl)anilino]-2-(4-bromophenyl)-3-oxopropyl]benzoyl]amino]ethanesulfonic acid
CID 88866790
(2S)-2-amino-3-[4-(1-benzofuran-2-yl)phenyl]propanoic acid
CID 68534596
3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 162656989
2-[[4-[3-[4-(1-benzofuran-2-yl)anilino]-2-(4-chlorophenyl)propyl]benzoyl]amino]ethanesulfonic acid
CID 163584268
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide (CID 18468240) is 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide is O=C(NCCC(OCOCc1ccccc1)C(=O)NO)c1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide?
The InChIKey is GHSYTTUDMYEMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c30-26(21-12-10-20(11-13-21)25-16-22-8-4-5-9-23(22)35-25)28-15-14-24(27(31)29-32)34-18-33-17-19-6-2-1-3-7-19/h1-13,16,24,32H,14-15,17-18H2,(H,28,30)(H,29,31).
What are the key properties of 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide?
4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide has a molecular weight of 474.51 g/mol, XLogP of 4.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide is sourced from PubChem (CID 18468240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).