N'-butan-2-yl-N-cyclopentyloxamide

C11H20N2O2 — CID 2943640

IUPACN'-butan-2-yl-N-cyclopentyloxamide
SMILESCCC(C)NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C11H20N2O2/c1-3-8(2)12-10(14)11(15)13-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXDKZPMQNCOZAIJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.96
Rot. Bonds3

About N'-butan-2-yl-N-cyclopentyloxamide

N'-butan-2-yl-N-cyclopentyloxamide (PubChem CID 2943640) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N'-butan-2-yl-N-cyclopentyloxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-cyclopentyloxamide
PubChem CID2943640
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN'-butan-2-yl-N-cyclopentyloxamide
SMILESCCC(C)NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C11H20N2O2/c1-3-8(2)12-10(14)11(15)13-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXDKZPMQNCOZAIJ-UHFFFAOYSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
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'-butan-2-yl-N-cyclopentyloxamide?
The IUPAC name of N'-butan-2-yl-N-cyclopentyloxamide (CID 2943640) is N'-butan-2-yl-N-cyclopentyloxamide.
What is the SMILES notation for N'-butan-2-yl-N-cyclopentyloxamide?
The canonical SMILES for N'-butan-2-yl-N-cyclopentyloxamide is CCC(C)NC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N'-butan-2-yl-N-cyclopentyloxamide?
The InChIKey is XDKZPMQNCOZAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-8(2)12-10(14)11(15)13-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-butan-2-yl-N-cyclopentyloxamide?
N'-butan-2-yl-N-cyclopentyloxamide has a molecular weight of 212.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-cyclopentyloxamide is sourced from PubChem (CID 2943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).