2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide

C18H33NO2 — CID 123386599

IUPAC2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide
SMILESCC=CCC(C)CC(C(N)=O)C(C)C(C)C(=O)CC(C)C
InChIInChI=1S/C18H33NO2/c1-7-8-9-13(4)11-16(18(19)21)14(5)15(6)17(20)10-12(2)3/h7-8,12-16H,9-11H2,1-6H3,(H2,19,21)
InChIKeyCPXGBKKJFRKMCO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.97
Rot. Bonds10

About 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide

2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide (PubChem CID 123386599) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide
PubChem CID123386599
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide
SMILESCC=CCC(C)CC(C(N)=O)C(C)C(C)C(=O)CC(C)C
InChIInChI=1S/C18H33NO2/c1-7-8-9-13(4)11-16(18(19)21)14(5)15(6)17(20)10-12(2)3/h7-8,12-16H,9-11H2,1-6H3,(H2,19,21)
InChIKeyCPXGBKKJFRKMCO-UHFFFAOYSA-N
XLogP3.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.97
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

(E)-2-methyloctadec-9-enamide
CID 19371032
2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide
CID 101413759
(2S,8E)-2-methyl-3-oxodec-8-enamide
CID 170990680
5-Keto-9-tetradecenamide
CID 5370333
(Z)-2-tetradecylicos-11-enamide
CID 87077030
2-Methyloleamide
CID 88432352
Dodecyloleamide
CID 129728141
Amyloleamide
CID 129726499
2-Methyl-3-oxodec-8-enamide
CID 172994116
2-(3-Oxo-2-pent-2-enylcyclopentyl)acetamide
CID 5365335
(E)-2-propyloctadec-9-enamide
CID 18533279
2,5-bis[(7Z,10Z)-hexadeca-7,10-dienyl]hexanediamide
CID 20839564

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide (CID 123386599) is 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide is CC=CCC(C)CC(C(N)=O)C(C)C(C)C(=O)CC(C)C.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide?
The InChIKey is CPXGBKKJFRKMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-7-8-9-13(4)11-16(18(19)21)14(5)15(6)17(20)10-12(2)3/h7-8,12-16H,9-11H2,1-6H3,(H2,19,21).
What are the key properties of 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide?
2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide has a molecular weight of 295.47 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide is sourced from PubChem (CID 123386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).