N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide

C24H28N6O3 — CID 162662378

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccc(C(=O)NO)cc1)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C24H28N6O3/c1-17-7-5-6-10-21(17)24(32)29(15-18-11-13-19(14-12-18)23(31)26-33)16-22-25-27-28-30(22)20-8-3-2-4-9-20/h5-7,10-14,20,33H,2-4,8-9,15-16H2,1H3,(H,26,31)
InChIKeyQFWBPAULPSOGQI-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.45
Rot. Bonds7

About N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide

N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 162662378) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
PubChem CID162662378
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccc(C(=O)NO)cc1)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C24H28N6O3/c1-17-7-5-6-10-21(17)24(32)29(15-18-11-13-19(14-12-18)23(31)26-33)16-22-25-27-28-30(22)20-8-3-2-4-9-20/h5-7,10-14,20,33H,2-4,8-9,15-16H2,1H3,(H,26,31)
InChIKeyQFWBPAULPSOGQI-UHFFFAOYSA-N
XLogP3.45
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.45
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-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide (CID 162662378) is N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)N(Cc1ccc(C(=O)NO)cc1)Cc1nnnn1C1CCCCC1.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is QFWBPAULPSOGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-17-7-5-6-10-21(17)24(32)29(15-18-11-13-19(14-12-18)23(31)26-33)16-22-25-27-28-30(22)20-8-3-2-4-9-20/h5-7,10-14,20,33H,2-4,8-9,15-16H2,1H3,(H,26,31).
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide?
N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 448.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 162662378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).