N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide

C26H26N6O3 — CID 162644574

IUPACN-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C26H26N6O3/c1-18-12-19(2)14-23(13-18)26(34)31(15-21-8-10-22(11-9-21)25(33)28-35)17-24-27-29-30-32(24)16-20-6-4-3-5-7-20/h3-14,35H,15-17H2,1-2H3,(H,28,33)
InChIKeyVWJAMIITTHBSGF-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.30
Rot. Bonds8

About N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide

N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide (PubChem CID 162644574) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
PubChem CID162644574
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C26H26N6O3/c1-18-12-19(2)14-23(13-18)26(34)31(15-21-8-10-22(11-9-21)25(33)28-35)17-24-27-29-30-32(24)16-20-6-4-3-5-7-20/h3-14,35H,15-17H2,1-2H3,(H,28,33)
InChIKeyVWJAMIITTHBSGF-UHFFFAOYSA-N
XLogP3.30
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide (CID 162644574) is N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
The InChIKey is VWJAMIITTHBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-18-12-19(2)14-23(13-18)26(34)31(15-21-8-10-22(11-9-21)25(33)28-35)17-24-27-29-30-32(24)16-20-6-4-3-5-7-20/h3-14,35H,15-17H2,1-2H3,(H,28,33).
What are the key properties of N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide has a molecular weight of 470.53 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 162644574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).