phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate

C22H25N5O2 — CID 30310810

IUPACphenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
SMILESCc1cccc(-n2nnnc2C2(NC(=O)Oc3ccccc3)CCCCC2)c1C
InChIInChI=1S/C22H25N5O2/c1-16-10-9-13-19(17(16)2)27-20(24-25-26-27)22(14-7-4-8-15-22)23-21(28)29-18-11-5-3-6-12-18/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,23,28)
InChIKeyZOIWQSCZGFJIIO-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.23
Rot. Bonds4

About phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate

phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate (PubChem CID 30310810) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
PubChem CID30310810
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Namephenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
SMILESCc1cccc(-n2nnnc2C2(NC(=O)Oc3ccccc3)CCCCC2)c1C
InChIInChI=1S/C22H25N5O2/c1-16-10-9-13-19(17(16)2)27-20(24-25-26-27)22(14-7-4-8-15-22)23-21(28)29-18-11-5-3-6-12-18/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,23,28)
InChIKeyZOIWQSCZGFJIIO-UHFFFAOYSA-N
XLogP4.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate 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 phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The IUPAC name of phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate (CID 30310810) is phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate.
What is the SMILES notation for phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The canonical SMILES for phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate is Cc1cccc(-n2nnnc2C2(NC(=O)Oc3ccccc3)CCCCC2)c1C.
What is the InChIKey of phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The InChIKey is ZOIWQSCZGFJIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-10-9-13-19(17(16)2)27-20(24-25-26-27)22(14-7-4-8-15-22)23-21(28)29-18-11-5-3-6-12-18/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,23,28).
What are the key properties of phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate has a molecular weight of 391.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 30310810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).