8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide

C17H29NO4 — CID 158566536

IUPAC8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide
SMILESCC(C)C(=O)CCCCC(=O)C(=O)NCCCC(=O)C(C)C
InChIInChI=1S/C17H29NO4/c1-12(2)14(19)8-5-6-9-16(21)17(22)18-11-7-10-15(20)13(3)4/h12-13H,5-11H2,1-4H3,(H,18,22)
InChIKeyHRNXLSLSOJXENO-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.46
Rot. Bonds12

About 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide

8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide (PubChem CID 158566536) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide.

Molecular Properties

Compound Name8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide
PubChem CID158566536
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide
SMILESCC(C)C(=O)CCCCC(=O)C(=O)NCCCC(=O)C(C)C
InChIInChI=1S/C17H29NO4/c1-12(2)14(19)8-5-6-9-16(21)17(22)18-11-7-10-15(20)13(3)4/h12-13H,5-11H2,1-4H3,(H,18,22)
InChIKeyHRNXLSLSOJXENO-UHFFFAOYSA-N
XLogP2.46
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
(6-methyl-5-oxoheptyl)carbamothioic S-acid
CID 138728799
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
2-oxo-N-tetradecyloctadecanamide
CID 87948435
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
2-oxo-N-(4-oxooctyl)hexadecanamide
CID 44562729
12-methyltridecane-3,4,11-trione
CID 22953560
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
6-(tert-butylamino)-2-methylhexan-3-one
CID 58002890

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide?
The IUPAC name of 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide (CID 158566536) is 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide.
What is the SMILES notation for 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide?
The canonical SMILES for 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide is CC(C)C(=O)CCCCC(=O)C(=O)NCCCC(=O)C(C)C.
What is the InChIKey of 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide?
The InChIKey is HRNXLSLSOJXENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-12(2)14(19)8-5-6-9-16(21)17(22)18-11-7-10-15(20)13(3)4/h12-13H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide?
8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide has a molecular weight of 311.42 g/mol, XLogP of 2.46, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide is sourced from PubChem (CID 158566536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).