N-cyclohexyl-3-methyl-2-oxobutanamide

C11H19NO2 — CID 121218159

IUPACN-cyclohexyl-3-methyl-2-oxobutanamide
SMILESCC(C)C(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)11(14)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyYIXGRJQSBFKTGE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds3

About N-cyclohexyl-3-methyl-2-oxobutanamide

N-cyclohexyl-3-methyl-2-oxobutanamide (PubChem CID 121218159) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-2-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-2-oxobutanamide
PubChem CID121218159
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-cyclohexyl-3-methyl-2-oxobutanamide
SMILESCC(C)C(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)11(14)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyYIXGRJQSBFKTGE-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-cyclohexyl-3-methyl-2-oxobutanamide?
The IUPAC name of N-cyclohexyl-3-methyl-2-oxobutanamide (CID 121218159) is N-cyclohexyl-3-methyl-2-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-2-oxobutanamide?
The canonical SMILES for N-cyclohexyl-3-methyl-2-oxobutanamide is CC(C)C(=O)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-2-oxobutanamide?
The InChIKey is YIXGRJQSBFKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(13)11(14)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-cyclohexyl-3-methyl-2-oxobutanamide?
N-cyclohexyl-3-methyl-2-oxobutanamide has a molecular weight of 197.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-2-oxobutanamide is sourced from PubChem (CID 121218159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).