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

C16H23NO — CID 11615704

IUPAC(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide
SMILESCC#CC#CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18)/b13-12+
InChIKeyRYVZYACBVYKUHD-OUKQBFOZSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds7

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

(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide (PubChem CID 11615704) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide
PubChem CID11615704
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide
SMILESCC#CC#CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18)/b13-12+
InChIKeyRYVZYACBVYKUHD-OUKQBFOZSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
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
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
Pipericine
CID 9974234
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
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
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
The IUPAC name of (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide (CID 11615704) is (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
The canonical SMILES for (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide is CC#CC#CCCCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
The InChIKey is RYVZYACBVYKUHD-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18)/b13-12+.
What are the key properties of (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide has a molecular weight of 245.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide is sourced from PubChem (CID 11615704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).