2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide

C13H23NO2 — CID 101175012

IUPAC2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1CC(C)(C)CC1=O
InChIInChI=1S/C13H23NO2/c1-5-14(6-2)12(16)7-10-8-13(3,4)9-11(10)15/h10H,5-9H2,1-4H3
InChIKeyQBKJGLBSHCRASP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds4

About 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide

2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide (PubChem CID 101175012) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide
PubChem CID101175012
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1CC(C)(C)CC1=O
InChIInChI=1S/C13H23NO2/c1-5-14(6-2)12(16)7-10-8-13(3,4)9-11(10)15/h10H,5-9H2,1-4H3
InChIKeyQBKJGLBSHCRASP-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide?
The IUPAC name of 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide (CID 101175012) is 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide is CCN(CC)C(=O)CC1CC(C)(C)CC1=O.
What is the InChIKey of 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide?
The InChIKey is QBKJGLBSHCRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-14(6-2)12(16)7-10-8-13(3,4)9-11(10)15/h10H,5-9H2,1-4H3.
What are the key properties of 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide?
2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2-oxocyclopentyl)-N,N-diethylacetamide is sourced from PubChem (CID 101175012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).