N-methyl-N-(4-oxocyclohexyl)butanamide

C11H19NO2 — CID 79120295

IUPACN-methyl-N-(4-oxocyclohexyl)butanamide
SMILESCCCC(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO2/c1-3-4-11(14)12(2)9-5-7-10(13)8-6-9/h9H,3-8H2,1-2H3
InChIKeyUIBRTIQOMTVYQE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds3

About N-methyl-N-(4-oxocyclohexyl)butanamide

N-methyl-N-(4-oxocyclohexyl)butanamide (PubChem CID 79120295) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)butanamide
PubChem CID79120295
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-methyl-N-(4-oxocyclohexyl)butanamide
SMILESCCCC(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO2/c1-3-4-11(14)12(2)9-5-7-10(13)8-6-9/h9H,3-8H2,1-2H3
InChIKeyUIBRTIQOMTVYQE-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxocyclohexyl)butanamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)butanamide (CID 79120295) is N-methyl-N-(4-oxocyclohexyl)butanamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)butanamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)butanamide is CCCC(=O)N(C)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)butanamide?
The InChIKey is UIBRTIQOMTVYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-11(14)12(2)9-5-7-10(13)8-6-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)butanamide?
N-methyl-N-(4-oxocyclohexyl)butanamide has a molecular weight of 197.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxocyclohexyl)butanamide is sourced from PubChem (CID 79120295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).