N-cyclohexyl-2-diazoacetamide

C8H13N3O — CID 102191923

IUPACN-cyclohexyl-2-diazoacetamide
SMILES[N-]=[N+]=CC(=O)NC1CCCCC1
InChIInChI=1S/C8H13N3O/c9-10-6-8(12)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyHHDUJECGPDXVQY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.74
Rot. Bonds2

About N-cyclohexyl-2-diazoacetamide

N-cyclohexyl-2-diazoacetamide (PubChem CID 102191923) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-cyclohexyl-2-diazoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-diazoacetamide
PubChem CID102191923
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-cyclohexyl-2-diazoacetamide
SMILES[N-]=[N+]=CC(=O)NC1CCCCC1
InChIInChI=1S/C8H13N3O/c9-10-6-8(12)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyHHDUJECGPDXVQY-UHFFFAOYSA-N
XLogP0.74
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-diazoacetamide 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 N-cyclohexyl-2-diazoacetamide?
The IUPAC name of N-cyclohexyl-2-diazoacetamide (CID 102191923) is N-cyclohexyl-2-diazoacetamide.
What is the SMILES notation for N-cyclohexyl-2-diazoacetamide?
The canonical SMILES for N-cyclohexyl-2-diazoacetamide is [N-]=[N+]=CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-diazoacetamide?
The InChIKey is HHDUJECGPDXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-10-6-8(12)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12).
What are the key properties of N-cyclohexyl-2-diazoacetamide?
N-cyclohexyl-2-diazoacetamide has a molecular weight of 167.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-diazoacetamide is sourced from PubChem (CID 102191923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).