7-methyl-N-(4-methylphenyl)-8-oxononanamide

C17H25NO2 — CID 86156730

IUPAC7-methyl-N-(4-methylphenyl)-8-oxononanamide
SMILESCC(=O)C(C)CCCCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-13-9-11-16(12-10-13)18-17(20)8-6-4-5-7-14(2)15(3)19/h9-12,14H,4-8H2,1-3H3,(H,18,20)
InChIKeyIUUPFTXMYLHUJL-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.11
Rot. Bonds8

About 7-methyl-N-(4-methylphenyl)-8-oxononanamide

7-methyl-N-(4-methylphenyl)-8-oxononanamide (PubChem CID 86156730) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-methyl-N-(4-methylphenyl)-8-oxononanamide.

Molecular Properties

Compound Name7-methyl-N-(4-methylphenyl)-8-oxononanamide
PubChem CID86156730
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-methyl-N-(4-methylphenyl)-8-oxononanamide
SMILESCC(=O)C(C)CCCCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-13-9-11-16(12-10-13)18-17(20)8-6-4-5-7-14(2)15(3)19/h9-12,14H,4-8H2,1-3H3,(H,18,20)
InChIKeyIUUPFTXMYLHUJL-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-methylphenyl)pentanamide
CID 3662375
4-(16-methylheptadecanoylamino)benzoic acid
CID 139715383
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-[4-[3,5-bis[4-(12-hydroxyoctadecanoylamino)phenyl]phenyl]phenyl]-12-hydroxyoctadecanamide
CID 132572427
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
2-[3-(4-methylanilino)-3-oxopropyl]hexanoic acid
CID 45126619
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
6-methyl-N-[4-(2-methylpropanoyl)phenyl]heptanamide
CID 168735122

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methylphenyl)-8-oxononanamide?
The IUPAC name of 7-methyl-N-(4-methylphenyl)-8-oxononanamide (CID 86156730) is 7-methyl-N-(4-methylphenyl)-8-oxononanamide.
What is the SMILES notation for 7-methyl-N-(4-methylphenyl)-8-oxononanamide?
The canonical SMILES for 7-methyl-N-(4-methylphenyl)-8-oxononanamide is CC(=O)C(C)CCCCCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 7-methyl-N-(4-methylphenyl)-8-oxononanamide?
The InChIKey is IUUPFTXMYLHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-9-11-16(12-10-13)18-17(20)8-6-4-5-7-14(2)15(3)19/h9-12,14H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 7-methyl-N-(4-methylphenyl)-8-oxononanamide?
7-methyl-N-(4-methylphenyl)-8-oxononanamide has a molecular weight of 275.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methylphenyl)-8-oxononanamide is sourced from PubChem (CID 86156730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).