N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide

C13H24N2O2 — CID 59266744

IUPACN'-(3,7-dimethyloct-6-enyl)-N-methyloxamide
SMILESCNC(=O)C(=O)NCCC(C)CCC=C(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)6-5-7-11(3)8-9-15-13(17)12(16)14-4/h6,11H,5,7-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZUVJWWYDWGWLLE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.62
Rot. Bonds6

About N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide

N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide (PubChem CID 59266744) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(3,7-dimethyloct-6-enyl)-N-methyloxamide
PubChem CID59266744
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN'-(3,7-dimethyloct-6-enyl)-N-methyloxamide
SMILESCNC(=O)C(=O)NCCC(C)CCC=C(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)6-5-7-11(3)8-9-15-13(17)12(16)14-4/h6,11H,5,7-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZUVJWWYDWGWLLE-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N-cyclobutyl-N'-{[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}ethanediamide
CID 167714471
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886517
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266736
N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266737
N'-(3,7-dimethylocta-2,6-dienyl)-N-ethyloxamide
CID 72265550
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60957689
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958378
2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 86799397

Frequently Asked Questions

What is the IUPAC name of N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide?
The IUPAC name of N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide (CID 59266744) is N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide.
What is the SMILES notation for N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide?
The canonical SMILES for N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide is CNC(=O)C(=O)NCCC(C)CCC=C(C)C.
What is the InChIKey of N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide?
The InChIKey is ZUVJWWYDWGWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)6-5-7-11(3)8-9-15-13(17)12(16)14-4/h6,11H,5,7-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide?
N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide has a molecular weight of 240.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide is sourced from PubChem (CID 59266744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).