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

C22H26N6O2 — CID 162657997

IUPAC4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C22H26N6O2/c29-22(25-30)18-13-11-16(12-14-18)15-23-20(17-7-3-1-4-8-17)21-24-26-27-28(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-20,23,30H,2,5-6,9-10,15H2,(H,25,29)
InChIKeyUZUIZVDNHKYDME-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.18
Rot. Bonds7

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

4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 162657997) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
PubChem CID162657997
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C22H26N6O2/c29-22(25-30)18-13-11-16(12-14-18)15-23-20(17-7-3-1-4-8-17)21-24-26-27-28(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-20,23,30H,2,5-6,9-10,15H2,(H,25,29)
InChIKeyUZUIZVDNHKYDME-UHFFFAOYSA-N
XLogP3.18
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.18
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'}

Analyze 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide (CID 162657997) is 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is UZUIZVDNHKYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-22(25-30)18-13-11-16(12-14-18)15-23-20(17-7-3-1-4-8-17)21-24-26-27-28(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-20,23,30H,2,5-6,9-10,15H2,(H,25,29).
What are the key properties of 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 406.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162657997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).