(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide

C14H23NO — CID 87311086

IUPAC(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
SMILESC/C=C\CC/C=C/C=C/C(=O)NC(C)CC
InChIInChI=1S/C14H23NO/c1-4-6-7-8-9-10-11-12-14(16)15-13(3)5-2/h4,6,9-13H,5,7-8H2,1-3H3,(H,15,16)/b6-4-,10-9+,12-11+
InChIKeyZJOQRMIHORYDNM-KQVCHYCDSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds7

About (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide

(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide (PubChem CID 87311086) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
PubChem CID87311086
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
SMILESC/C=C\CC/C=C/C=C/C(=O)NC(C)CC
InChIInChI=1S/C14H23NO/c1-4-6-7-8-9-10-11-12-14(16)15-13(3)5-2/h4,6,9-13H,5,7-8H2,1-3H3,(H,15,16)/b6-4-,10-9+,12-11+
InChIKeyZJOQRMIHORYDNM-KQVCHYCDSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-ylhexa-2,4-dienamide
CID 76545623
(2E,4E,8Z,11Z)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
CID 163042941
(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
CID 163042942
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054
(2E)-N-heptan-2-ylhexa-2,4-dienamide
CID 78841357
(2E,4E,12E)-15-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]pentadeca-2,4,12-trienamide
CID 163067839
2,2-dimethyldodeca-4,6,10-trien-3-one
CID 149435269
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide (CID 87311086) is (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide is C/C=C\CC/C=C/C=C/C(=O)NC(C)CC.
What is the InChIKey of (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide?
The InChIKey is ZJOQRMIHORYDNM-KQVCHYCDSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-7-8-9-10-11-12-14(16)15-13(3)5-2/h4,6,9-13H,5,7-8H2,1-3H3,(H,15,16)/b6-4-,10-9+,12-11+.
What are the key properties of (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide?
(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide has a molecular weight of 221.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide is sourced from PubChem (CID 87311086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).