N-tert-butyl-2-cyclopentyl-2-oxoacetamide

C11H19NO2 — CID 23336245

IUPACN-tert-butyl-2-cyclopentyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-10(14)9(13)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyQLWBSQWBWGCLAF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds2

About N-tert-butyl-2-cyclopentyl-2-oxoacetamide

N-tert-butyl-2-cyclopentyl-2-oxoacetamide (PubChem CID 23336245) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopentyl-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopentyl-2-oxoacetamide
PubChem CID23336245
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-tert-butyl-2-cyclopentyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-10(14)9(13)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyQLWBSQWBWGCLAF-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.66
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-cyclopentyl-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-cyclopentyl-2-oxoacetamide (CID 23336245) is N-tert-butyl-2-cyclopentyl-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-cyclopentyl-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-cyclopentyl-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)C1CCCC1.
What is the InChIKey of N-tert-butyl-2-cyclopentyl-2-oxoacetamide?
The InChIKey is QLWBSQWBWGCLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)12-10(14)9(13)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-tert-butyl-2-cyclopentyl-2-oxoacetamide?
N-tert-butyl-2-cyclopentyl-2-oxoacetamide has a molecular weight of 197.28 g/mol, XLogP of 1.66, 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-cyclopentyl-2-oxoacetamide is sourced from PubChem (CID 23336245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).