N-(2-methylbutyl)deca-2,6,8-trienamide

C15H25NO — CID 530392

IUPACN-(2-methylbutyl)deca-2,6,8-trienamide
SMILESCC=CC=CCCC=CC(=O)NCC(C)CC
InChIInChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17)
InChIKeyLWJDBUUOYULAFU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds8

About N-(2-methylbutyl)deca-2,6,8-trienamide

N-(2-methylbutyl)deca-2,6,8-trienamide (PubChem CID 530392) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-methylbutyl)deca-2,6,8-trienamide.

Molecular Properties

Compound NameN-(2-methylbutyl)deca-2,6,8-trienamide
PubChem CID530392
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-methylbutyl)deca-2,6,8-trienamide
SMILESCC=CC=CCCC=CC(=O)NCC(C)CC
InChIInChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17)
InChIKeyLWJDBUUOYULAFU-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(2-methylbutyl)deca-2,6,8-trienamide 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 N-(2-methylbutyl)deca-2,6,8-trienamide?
The IUPAC name of N-(2-methylbutyl)deca-2,6,8-trienamide (CID 530392) is N-(2-methylbutyl)deca-2,6,8-trienamide.
What is the SMILES notation for N-(2-methylbutyl)deca-2,6,8-trienamide?
The canonical SMILES for N-(2-methylbutyl)deca-2,6,8-trienamide is CC=CC=CCCC=CC(=O)NCC(C)CC.
What is the InChIKey of N-(2-methylbutyl)deca-2,6,8-trienamide?
The InChIKey is LWJDBUUOYULAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylbutyl)deca-2,6,8-trienamide?
N-(2-methylbutyl)deca-2,6,8-trienamide has a molecular weight of 235.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)deca-2,6,8-trienamide is sourced from PubChem (CID 530392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).