N-tert-butyl-2-cyclohexyl-2-oxoacetamide

C12H21NO2 — CID 15296161

IUPACN-tert-butyl-2-cyclohexyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyVJEZSHWYCOGPCN-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds2

About N-tert-butyl-2-cyclohexyl-2-oxoacetamide

N-tert-butyl-2-cyclohexyl-2-oxoacetamide (PubChem CID 15296161) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-tert-butyl-2-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclohexyl-2-oxoacetamide
PubChem CID15296161
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-tert-butyl-2-cyclohexyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyVJEZSHWYCOGPCN-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclohexyl-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-cyclohexyl-2-oxoacetamide (CID 15296161) is N-tert-butyl-2-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-cyclohexyl-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-cyclohexyl-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)C1CCCCC1.
What is the InChIKey of N-tert-butyl-2-cyclohexyl-2-oxoacetamide?
The InChIKey is VJEZSHWYCOGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-cyclohexyl-2-oxoacetamide?
N-tert-butyl-2-cyclohexyl-2-oxoacetamide has a molecular weight of 211.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 15296161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).