N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

C22H24N6O — CID 7933017

IUPACN-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESCC1CCC(=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H24N6O/c1-16-7-13-20(14-8-16)23-25-22(29)19-11-9-17(10-12-19)15-28-26-21(24-27-28)18-5-3-2-4-6-18/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,25,29)/b23-20-
InChIKeyPXVZGRFKKPLWSX-ATJXCDBQSA-N
MW388.48 g/mol
LogP3.68
Rot. Bonds5

About N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (PubChem CID 7933017) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
PubChem CID7933017
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESCC1CCC(=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H24N6O/c1-16-7-13-20(14-8-16)23-25-22(29)19-11-9-17(10-12-19)15-28-26-21(24-27-28)18-5-3-2-4-6-18/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,25,29)/b23-20-
InChIKeyPXVZGRFKKPLWSX-ATJXCDBQSA-N
XLogP3.68
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-oxocyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 6519575
N-[(3-oxocyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 3914961
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
N-[(E)-1-naphthalen-2-ylethylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553650
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 7933033
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 42995318
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55474327
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135733998
N-[(Z)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 30238170

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (CID 7933017) is N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is CC1CCC(=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1.
What is the InChIKey of N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The InChIKey is PXVZGRFKKPLWSX-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-7-13-20(14-8-16)23-25-22(29)19-11-9-17(10-12-19)15-28-26-21(24-27-28)18-5-3-2-4-6-18/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,25,29)/b23-20-.
What are the key properties of N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide has a molecular weight of 388.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 7933017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).