N-(3-methylbutyl)deca-2,4,6-trienamide

C15H25NO — CID 163017819

IUPACN-(3-methylbutyl)deca-2,4,6-trienamide
SMILESCCCC=CC=CC=CC(=O)NCCC(C)C
InChIInChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,16,17)
InChIKeySCPZCRFWGBTKEW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds8

About N-(3-methylbutyl)deca-2,4,6-trienamide

N-(3-methylbutyl)deca-2,4,6-trienamide (PubChem CID 163017819) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3-methylbutyl)deca-2,4,6-trienamide.

Molecular Properties

Compound NameN-(3-methylbutyl)deca-2,4,6-trienamide
PubChem CID163017819
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3-methylbutyl)deca-2,4,6-trienamide
SMILESCCCC=CC=CC=CC(=O)NCCC(C)C
InChIInChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,16,17)
InChIKeySCPZCRFWGBTKEW-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Pellitorine
CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Pipericine
CID 9974234
N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
Tetradeca-2E,4E-Dienoic Acid Isobutylamide
CID 10731388
2,4,14-Eicosatrienoic acid isobutylamide
CID 10338645
2,4-Undecadiene-8,10-diynoic acid isobutylamide
CID 15609884

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)deca-2,4,6-trienamide?
The IUPAC name of N-(3-methylbutyl)deca-2,4,6-trienamide (CID 163017819) is N-(3-methylbutyl)deca-2,4,6-trienamide.
What is the SMILES notation for N-(3-methylbutyl)deca-2,4,6-trienamide?
The canonical SMILES for N-(3-methylbutyl)deca-2,4,6-trienamide is CCCC=CC=CC=CC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)deca-2,4,6-trienamide?
The InChIKey is SCPZCRFWGBTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)deca-2,4,6-trienamide?
N-(3-methylbutyl)deca-2,4,6-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-(3-methylbutyl)deca-2,4,6-trienamide is sourced from PubChem (CID 163017819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).