(2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide

C19H33NO — CID 59903293

IUPAC(2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide
SMILESCC(C)C(C)/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)C
InChIInChI=1S/C19H33NO/c1-16(2)17(3)13-11-9-7-8-10-12-14-18(21)20-15-19(4,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3,(H,20,21)/b9-7-,13-11+,14-12+
InChIKeyURXMZUDXVKBRDP-NSJFEFTKSA-N
MW291.48 g/mol
LogP4.89
Rot. Bonds8

About (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide

(2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide (PubChem CID 59903293) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide
PubChem CID59903293
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide
SMILESCC(C)C(C)/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)C
InChIInChI=1S/C19H33NO/c1-16(2)17(3)13-11-9-7-8-10-12-14-18(21)20-15-19(4,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3,(H,20,21)/b9-7-,13-11+,14-12+
InChIKeyURXMZUDXVKBRDP-NSJFEFTKSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide?
The IUPAC name of (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide (CID 59903293) is (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide.
What is the SMILES notation for (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide?
The canonical SMILES for (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide is CC(C)C(C)/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)C.
What is the InChIKey of (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide?
The InChIKey is URXMZUDXVKBRDP-NSJFEFTKSA-N. The full InChI is InChI=1S/C19H33NO/c1-16(2)17(3)13-11-9-7-8-10-12-14-18(21)20-15-19(4,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3,(H,20,21)/b9-7-,13-11+,14-12+.
What are the key properties of (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide?
(2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide has a molecular weight of 291.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z,8E)-N-(2,2-dimethylpropyl)-10,11-dimethyldodeca-2,6,8-trienamide is sourced from PubChem (CID 59903293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).