N-cyclohexyl-2-oxoacetamide

C8H13NO2 — CID 21031065

IUPACN-cyclohexyl-2-oxoacetamide
SMILESO=CC(=O)NC1CCCCC1
InChIInChI=1S/C8H13NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,9,11)
InChIKeyVFJMMOOOAHQPMN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds2

About N-cyclohexyl-2-oxoacetamide

N-cyclohexyl-2-oxoacetamide (PubChem CID 21031065) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxoacetamide
PubChem CID21031065
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-cyclohexyl-2-oxoacetamide
SMILESO=CC(=O)NC1CCCCC1
InChIInChI=1S/C8H13NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,9,11)
InChIKeyVFJMMOOOAHQPMN-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-oxoacetamide (CID 21031065) is N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-oxoacetamide is O=CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-oxoacetamide?
The InChIKey is VFJMMOOOAHQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,9,11).
What are the key properties of N-cyclohexyl-2-oxoacetamide?
N-cyclohexyl-2-oxoacetamide has a molecular weight of 155.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 21031065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).