(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide

C17H25NO — CID 14259838

IUPAC(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide
SMILESCC#CC#CCCCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13+
InChIKeyHTEAEKZTQDWCBO-BUHFOSPRSA-N
MW259.39 g/mol
LogP3.29
Rot. Bonds8

About (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide

(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide (PubChem CID 14259838) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide.

Molecular Properties

Compound Name(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide
PubChem CID14259838
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide
SMILESCC#CC#CCCCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13+
InChIKeyHTEAEKZTQDWCBO-BUHFOSPRSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.29
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Pellitorine
CID 5318516
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
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
2,4-Undecadiene-8,10-diynoic acid isobutylamide
CID 15609884
(2E,4E,8Z)-N-isobutyltetradeca-2,4,8-trienamide
CID 73355665
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 12315250
(E)-N-isobutyldodec-2-enamide
CID 14188011
N-Isobutylundeca-2(E)-en-8,10-diynamide
CID 5368482

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide?
The IUPAC name of (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide (CID 14259838) is (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide.
What is the SMILES notation for (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide?
The canonical SMILES for (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide is CC#CC#CCCCC/C=C/C(=O)NCC(C)CC.
What is the InChIKey of (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide?
The InChIKey is HTEAEKZTQDWCBO-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13+.
What are the key properties of (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide?
(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide has a molecular weight of 259.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide is sourced from PubChem (CID 14259838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).