3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide

C23H25N3O3 — CID 156653471

IUPAC3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C23H25N3O3/c27-23(24-15-16-5-2-1-3-6-16)19-7-4-8-20(14-19)25-22(26-28)18-9-10-21-17(13-18)11-12-29-21/h4,7-14,16,28H,1-3,5-6,15H2,(H,24,27)(H,25,26)
InChIKeyAUKOTMLKBMKHJE-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.80
Rot. Bonds5

About 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide

3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide (PubChem CID 156653471) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide.

Molecular Properties

Compound Name3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide
PubChem CID156653471
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C23H25N3O3/c27-23(24-15-16-5-2-1-3-6-16)19-7-4-8-20(14-19)25-22(26-28)18-9-10-21-17(13-18)11-12-29-21/h4,7-14,16,28H,1-3,5-6,15H2,(H,24,27)(H,25,26)
InChIKeyAUKOTMLKBMKHJE-UHFFFAOYSA-N
XLogP4.80
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide?
The IUPAC name of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide (CID 156653471) is 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide.
What is the SMILES notation for 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide?
The canonical SMILES for 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide is O=C(NCC1CCCCC1)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1.
What is the InChIKey of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide?
The InChIKey is AUKOTMLKBMKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-23(24-15-16-5-2-1-3-6-16)19-7-4-8-20(14-19)25-22(26-28)18-9-10-21-17(13-18)11-12-29-21/h4,7-14,16,28H,1-3,5-6,15H2,(H,24,27)(H,25,26).
What are the key properties of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide?
3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide is sourced from PubChem (CID 156653471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).