3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate

C22H24N5O2- — CID 8022850

IUPAC3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(=O)[O-])c2)CCCCC1
InChIInChI=1S/C22H25N5O2/c1-15-8-6-9-16(2)19(15)27-21(24-25-26-27)22(12-4-3-5-13-22)23-18-11-7-10-17(14-18)20(28)29/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,28,29)/p-1
InChIKeyRZKRPIIIIAWMSB-UHFFFAOYSA-M
MW390.47 g/mol
LogP2.91
Rot. Bonds5

About 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate

3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate (PubChem CID 8022850) has the molecular formula C22H24N5O2- and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate.

Molecular Properties

Compound Name3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
PubChem CID8022850
Molecular FormulaC22H24N5O2-
Molecular Weight390.47 g/mol
Exact Mass390.19
IUPAC Name3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(=O)[O-])c2)CCCCC1
InChIInChI=1S/C22H25N5O2/c1-15-8-6-9-16(2)19(15)27-21(24-25-26-27)22(12-4-3-5-13-22)23-18-11-7-10-17(14-18)20(28)29/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,28,29)/p-1
InChIKeyRZKRPIIIIAWMSB-UHFFFAOYSA-M
XLogP2.91
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate 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-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520
1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 3311481
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
CID 171981918
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 3912904
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate?
The IUPAC name of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate (CID 8022850) is 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate.
What is the SMILES notation for 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate?
The canonical SMILES for 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate is Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(=O)[O-])c2)CCCCC1.
What is the InChIKey of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate?
The InChIKey is RZKRPIIIIAWMSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H25N5O2/c1-15-8-6-9-16(2)19(15)27-21(24-25-26-27)22(12-4-3-5-13-22)23-18-11-7-10-17(14-18)20(28)29/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,28,29)/p-1.
What are the key properties of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate?
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate has a molecular weight of 390.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate is sourced from PubChem (CID 8022850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).