4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide

C16H23N5O — CID 23349774

IUPAC4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide
SMILESCN(C)C1CCCCC1N(C)C(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C16H23N5O/c1-20(2)14-6-4-5-7-15(14)21(3)16(22)12-8-10-13(11-9-12)18-19-17/h8-11,14-15H,4-7H2,1-3H3
InChIKeyCHWGDXPHQHWWHW-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.57
Rot. Bonds4

About 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide

4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide (PubChem CID 23349774) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide
PubChem CID23349774
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide
SMILESCN(C)C1CCCCC1N(C)C(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C16H23N5O/c1-20(2)14-6-4-5-7-15(14)21(3)16(22)12-8-10-13(11-9-12)18-19-17/h8-11,14-15H,4-7H2,1-3H3
InChIKeyCHWGDXPHQHWWHW-UHFFFAOYSA-N
XLogP3.57
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
The IUPAC name of 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide (CID 23349774) is 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide is CN(C)C1CCCCC1N(C)C(=O)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
The InChIKey is CHWGDXPHQHWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20(2)14-6-4-5-7-15(14)21(3)16(22)12-8-10-13(11-9-12)18-19-17/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 23349774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).