5,9-dimethyl-N-octyldec-8-enamide

C20H39NO — CID 44561012

IUPAC5,9-dimethyl-N-octyldec-8-enamide
SMILESCCCCCCCCNC(=O)CCCC(C)CCC=C(C)C
InChIInChI=1S/C20H39NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h13,19H,5-12,14-17H2,1-4H3,(H,21,22)
InChIKeyANKWYSAIEFOYJL-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.02
Rot. Bonds14

About 5,9-dimethyl-N-octyldec-8-enamide

5,9-dimethyl-N-octyldec-8-enamide (PubChem CID 44561012) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 5,9-dimethyl-N-octyldec-8-enamide.

Molecular Properties

Compound Name5,9-dimethyl-N-octyldec-8-enamide
PubChem CID44561012
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name5,9-dimethyl-N-octyldec-8-enamide
SMILESCCCCCCCCNC(=O)CCCC(C)CCC=C(C)C
InChIInChI=1S/C20H39NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h13,19H,5-12,14-17H2,1-4H3,(H,21,22)
InChIKeyANKWYSAIEFOYJL-UHFFFAOYSA-N
XLogP6.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,9-dimethyl-N-octyldec-8-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-N-octyldec-8-enamide?
The IUPAC name of 5,9-dimethyl-N-octyldec-8-enamide (CID 44561012) is 5,9-dimethyl-N-octyldec-8-enamide.
What is the SMILES notation for 5,9-dimethyl-N-octyldec-8-enamide?
The canonical SMILES for 5,9-dimethyl-N-octyldec-8-enamide is CCCCCCCCNC(=O)CCCC(C)CCC=C(C)C.
What is the InChIKey of 5,9-dimethyl-N-octyldec-8-enamide?
The InChIKey is ANKWYSAIEFOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h13,19H,5-12,14-17H2,1-4H3,(H,21,22).
What are the key properties of 5,9-dimethyl-N-octyldec-8-enamide?
5,9-dimethyl-N-octyldec-8-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-N-octyldec-8-enamide is sourced from PubChem (CID 44561012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).