4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide

C21H26N6O2 — CID 162655485

IUPAC4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
SMILESCCCCC(NCc1ccc(C(=O)NO)cc1)c1nnnn1Cc1ccccc1
InChIInChI=1S/C21H26N6O2/c1-2-3-9-19(22-14-16-10-12-18(13-11-16)21(28)24-29)20-23-25-26-27(20)15-17-7-5-4-6-8-17/h4-8,10-13,19,22,29H,2-3,9,14-15H2,1H3,(H,24,28)
InChIKeyVZPHVPHXVCVEGM-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.86
Rot. Bonds10

About 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide

4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide (PubChem CID 162655485) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
PubChem CID162655485
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
SMILESCCCCC(NCc1ccc(C(=O)NO)cc1)c1nnnn1Cc1ccccc1
InChIInChI=1S/C21H26N6O2/c1-2-3-9-19(22-14-16-10-12-18(13-11-16)21(28)24-29)20-23-25-26-27(20)15-17-7-5-4-6-8-17/h4-8,10-13,19,22,29H,2-3,9,14-15H2,1H3,(H,24,28)
InChIKeyVZPHVPHXVCVEGM-UHFFFAOYSA-N
XLogP2.86
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
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-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 135357494
N-hydroxy-4-[(5-phenyltetrazol-1-yl)methyl]benzamide
CID 135357870
N-[1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-methyl-benzamide
CID 1445102
N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 162644574
4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
CID 162650273
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-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
CID 162657997

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide (CID 162655485) is 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide is CCCCC(NCc1ccc(C(=O)NO)cc1)c1nnnn1Cc1ccccc1.
What is the InChIKey of 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide?
The InChIKey is VZPHVPHXVCVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-2-3-9-19(22-14-16-10-12-18(13-11-16)21(28)24-29)20-23-25-26-27(20)15-17-7-5-4-6-8-17/h4-8,10-13,19,22,29H,2-3,9,14-15H2,1H3,(H,24,28).
What are the key properties of 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide?
4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.86, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162655485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).