2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide

C16H25NO2 — CID 59996055

IUPAC2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide
SMILESC=C1C(NC(=O)C(C)C)C(=C)C(C)(C)C(=O)C1(C)C
InChIInChI=1S/C16H25NO2/c1-9(2)13(18)17-12-10(3)15(5,6)14(19)16(7,8)11(12)4/h9,12H,3-4H2,1-2,5-8H3,(H,17,18)
InChIKeyPDTVCMMWZUSPDE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide

2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide (PubChem CID 59996055) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide
PubChem CID59996055
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide
SMILESC=C1C(NC(=O)C(C)C)C(=C)C(C)(C)C(=O)C1(C)C
InChIInChI=1S/C16H25NO2/c1-9(2)13(18)17-12-10(3)15(5,6)14(19)16(7,8)11(12)4/h9,12H,3-4H2,1-2,5-8H3,(H,17,18)
InChIKeyPDTVCMMWZUSPDE-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
CID 159536541
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
CID 166170306
6-(3,3-dibromo-2-methylpropanoyl)-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 142512673
2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione
CID 59996056
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-methyl-N-(3-oxocyclohexyl)propanamide
CID 164677071
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide?
The IUPAC name of 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide (CID 59996055) is 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide?
The canonical SMILES for 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide is C=C1C(NC(=O)C(C)C)C(=C)C(C)(C)C(=O)C1(C)C.
What is the InChIKey of 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide?
The InChIKey is PDTVCMMWZUSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-9(2)13(18)17-12-10(3)15(5,6)14(19)16(7,8)11(12)4/h9,12H,3-4H2,1-2,5-8H3,(H,17,18).
What are the key properties of 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide?
2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,5,5-tetramethyl-2,6-dimethylidene-4-oxocyclohexyl)propanamide is sourced from PubChem (CID 59996055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).