N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide

C22H25N5O2 — CID 30312897

IUPACN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
SMILESCOc1cccc(-n2nnnc2C2(NC(=O)c3ccccc3)CCC(C)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-16-11-13-22(14-12-16,23-20(28)17-7-4-3-5-8-17)21-24-25-26-27(21)18-9-6-10-19(15-18)29-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,28)
InChIKeyXLFREMXMWKCCFN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.51
Rot. Bonds5

About N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide

N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide (PubChem CID 30312897) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
PubChem CID30312897
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
SMILESCOc1cccc(-n2nnnc2C2(NC(=O)c3ccccc3)CCC(C)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-16-11-13-22(14-12-16,23-20(28)17-7-4-3-5-8-17)21-24-25-26-27(21)18-9-6-10-19(15-18)29-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,28)
InChIKeyXLFREMXMWKCCFN-UHFFFAOYSA-N
XLogP3.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylbenzamide
CID 30313565
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310198
N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
CID 30313521
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
ethyl 3-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313546

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide?
The IUPAC name of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide (CID 30312897) is N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide.
What is the SMILES notation for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide?
The canonical SMILES for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide is COc1cccc(-n2nnnc2C2(NC(=O)c3ccccc3)CCC(C)CC2)c1.
What is the InChIKey of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide?
The InChIKey is XLFREMXMWKCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-11-13-22(14-12-16,23-20(28)17-7-4-3-5-8-17)21-24-25-26-27(21)18-9-6-10-19(15-18)29-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,28).
What are the key properties of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide?
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide is sourced from PubChem (CID 30312897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).