8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide

C14H26N2O — CID 166815291

IUPAC8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide
SMILESC=CC(=C)N(C)CCCCCCCC(=O)NC
InChIInChI=1S/C14H26N2O/c1-5-13(2)16(4)12-10-8-6-7-9-11-14(17)15-3/h5H,1-2,6-12H2,3-4H3,(H,15,17)
InChIKeyKPLXBPUYYXKISN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.70
Rot. Bonds10

About 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide

8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide (PubChem CID 166815291) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide.

Molecular Properties

Compound Name8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide
PubChem CID166815291
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide
SMILESC=CC(=C)N(C)CCCCCCCC(=O)NC
InChIInChI=1S/C14H26N2O/c1-5-13(2)16(4)12-10-8-6-7-9-11-14(17)15-3/h5H,1-2,6-12H2,3-4H3,(H,15,17)
InChIKeyKPLXBPUYYXKISN-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide 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 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide?
The IUPAC name of 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide (CID 166815291) is 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide.
What is the SMILES notation for 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide?
The canonical SMILES for 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide is C=CC(=C)N(C)CCCCCCCC(=O)NC.
What is the InChIKey of 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide?
The InChIKey is KPLXBPUYYXKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-13(2)16(4)12-10-8-6-7-9-11-14(17)15-3/h5H,1-2,6-12H2,3-4H3,(H,15,17).
What are the key properties of 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide?
8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide has a molecular weight of 238.37 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[buta-1,3-dien-2-yl(methyl)amino]-N-methyloctanamide is sourced from PubChem (CID 166815291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).