11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide

C16H25F2NO — CID 53959963

IUPAC11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide
SMILESCC(C)CNC(=O)C=C(C)C=CCCCCC=C(F)F
InChIInChI=1S/C16H25F2NO/c1-13(2)12-19-16(20)11-14(3)9-7-5-4-6-8-10-15(17)18/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,19,20)
InChIKeyJKGIDQWVMVUYFQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP5.10
Rot. Bonds9

About 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide

11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide (PubChem CID 53959963) has the molecular formula C16H25F2NO and a molecular weight of 285.37 g/mol. Its IUPAC name is 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide.

Molecular Properties

Compound Name11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide
PubChem CID53959963
Molecular FormulaC16H25F2NO
Molecular Weight285.37 g/mol
Exact Mass285.19
IUPAC Name11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide
SMILESCC(C)CNC(=O)C=C(C)C=CCCCCC=C(F)F
InChIInChI=1S/C16H25F2NO/c1-13(2)12-19-16(20)11-14(3)9-7-5-4-6-8-10-15(17)18/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,19,20)
InChIKeyJKGIDQWVMVUYFQ-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity367

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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
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
(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
8,9-Dehydropellitorine
CID 14427412

Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide?
The IUPAC name of 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide (CID 53959963) is 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide.
What is the SMILES notation for 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide?
The canonical SMILES for 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide is CC(C)CNC(=O)C=C(C)C=CCCCCC=C(F)F.
What is the InChIKey of 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide?
The InChIKey is JKGIDQWVMVUYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-13(2)12-19-16(20)11-14(3)9-7-5-4-6-8-10-15(17)18/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,19,20).
What are the key properties of 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide?
11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide has a molecular weight of 285.37 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide is sourced from PubChem (CID 53959963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).