N-tert-butylundeca-2,7,9-trienamide

C15H25NO — CID 91238827

IUPACN-tert-butylundeca-2,7,9-trienamide
SMILESCC=CC=CCCCC=CC(=O)NC(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)4/h5-8,12-13H,9-11H2,1-4H3,(H,16,17)
InChIKeyCWSOJLREQLPMIM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds6

About N-tert-butylundeca-2,7,9-trienamide

N-tert-butylundeca-2,7,9-trienamide (PubChem CID 91238827) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-tert-butylundeca-2,7,9-trienamide.

Molecular Properties

Compound NameN-tert-butylundeca-2,7,9-trienamide
PubChem CID91238827
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-tert-butylundeca-2,7,9-trienamide
SMILESCC=CC=CCCCC=CC(=O)NC(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)4/h5-8,12-13H,9-11H2,1-4H3,(H,16,17)
InChIKeyCWSOJLREQLPMIM-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
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'}

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Related Compounds

(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
CID 44561467
Undecatrienamide
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N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
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(Z)-N-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]hex-2-enamide
CID 144372571
2(1H)-Pyridinone, 5-ethyl-6-methyl-
CID 10419246
(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
CID 102084152
(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
CID 102084154
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
CID 131234353
(2E,4E)-N-tert-butyl-6,6-dimethylhepta-2,4-dienamide
CID 135042526
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
CID 135056552
(E)-N-tert-butylnon-2-enamide
CID 135063217
(E)-N-tert-butyl-5-methylhex-2-enamide
CID 135080469

Frequently Asked Questions

What is the IUPAC name of N-tert-butylundeca-2,7,9-trienamide?
The IUPAC name of N-tert-butylundeca-2,7,9-trienamide (CID 91238827) is N-tert-butylundeca-2,7,9-trienamide.
What is the SMILES notation for N-tert-butylundeca-2,7,9-trienamide?
The canonical SMILES for N-tert-butylundeca-2,7,9-trienamide is CC=CC=CCCCC=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylundeca-2,7,9-trienamide?
The InChIKey is CWSOJLREQLPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)4/h5-8,12-13H,9-11H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butylundeca-2,7,9-trienamide?
N-tert-butylundeca-2,7,9-trienamide has a molecular weight of 235.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylundeca-2,7,9-trienamide is sourced from PubChem (CID 91238827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).