4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide

C23H26N6O3 — CID 162650273

IUPAC4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(Cc2nnnn2C2CCCCC2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H26N6O3/c30-22(25-32)18-13-11-17(12-14-18)15-28(23(31)19-7-3-1-4-8-19)16-21-24-26-27-29(21)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,32H,2,5-6,9-10,15-16H2,(H,25,30)
InChIKeyAORDCWUZRAKPLT-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.14
Rot. Bonds7

About 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide

4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 162650273) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
PubChem CID162650273
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(Cc2nnnn2C2CCCCC2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H26N6O3/c30-22(25-32)18-13-11-17(12-14-18)15-28(23(31)19-7-3-1-4-8-19)16-21-24-26-27-29(21)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,32H,2,5-6,9-10,15-16H2,(H,25,30)
InChIKeyAORDCWUZRAKPLT-UHFFFAOYSA-N
XLogP3.14
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 146680839
4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)-N-methylbenzamide
CID 49865290
4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)benzamide
CID 49865489
N-hydroxy-4-[(5-phenyltetrazol-1-yl)methyl]benzamide
CID 135357870
N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 162644574
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162654901
4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162654964
4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
CID 162655485
4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
CID 162657997
4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
CID 162660527
N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 162662378

Frequently Asked Questions

What is the IUPAC name of 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide (CID 162650273) is 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN(Cc2nnnn2C2CCCCC2)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is AORDCWUZRAKPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-22(25-32)18-13-11-17(12-14-18)15-28(23(31)19-7-3-1-4-8-19)16-21-24-26-27-29(21)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,32H,2,5-6,9-10,15-16H2,(H,25,30).
What are the key properties of 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 434.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162650273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).