N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide

C22H25N5O — CID 30310326

IUPACN-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
SMILESCc1ccc(-n2nnnc2C2(NC(=O)c3ccccc3)CCCCC2)c(C)c1
InChIInChI=1S/C22H25N5O/c1-16-11-12-19(17(2)15-16)27-21(24-25-26-27)22(13-7-4-8-14-22)23-20(28)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,23,28)
InChIKeyOFVNXOKWJMWGSX-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.87
Rot. Bonds4

About N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide

N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide (PubChem CID 30310326) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
PubChem CID30310326
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
SMILESCc1ccc(-n2nnnc2C2(NC(=O)c3ccccc3)CCCCC2)c(C)c1
InChIInChI=1S/C22H25N5O/c1-16-11-12-19(17(2)15-16)27-21(24-25-26-27)22(13-7-4-8-14-22)23-20(28)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,23,28)
InChIKeyOFVNXOKWJMWGSX-UHFFFAOYSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310810
N'-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 2485464
methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310660
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
CID 171981918
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
CID 30314136
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
The IUPAC name of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide (CID 30310326) is N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide.
What is the SMILES notation for N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
The canonical SMILES for N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide is Cc1ccc(-n2nnnc2C2(NC(=O)c3ccccc3)CCCCC2)c(C)c1.
What is the InChIKey of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
The InChIKey is OFVNXOKWJMWGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-11-12-19(17(2)15-16)27-21(24-25-26-27)22(13-7-4-8-14-22)23-20(28)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,23,28).
What are the key properties of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide is sourced from PubChem (CID 30310326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).