(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide

C20H35NO — CID 91697623

IUPAC(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
SMILESCCCCC/C=C/CCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h8-9,14-17,19H,4-7,10-13,18H2,1-3H3,(H,21,22)/b9-8+,15-14+,17-16+
InChIKeyQJFBVQUFPMOHQK-QUAMNOPSSA-N
MW305.51 g/mol
LogP5.57
Rot. Bonds13

About (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide

(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide (PubChem CID 91697623) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide.

Molecular Properties

Compound Name(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
PubChem CID91697623
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
SMILESCCCCC/C=C/CCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h8-9,14-17,19H,4-7,10-13,18H2,1-3H3,(H,21,22)/b9-8+,15-14+,17-16+
InChIKeyQJFBVQUFPMOHQK-QUAMNOPSSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide with MolForge

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Related Compounds

(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
CID 163037919
(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130

Frequently Asked Questions

What is the IUPAC name of (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide?
The IUPAC name of (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide (CID 91697623) is (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide.
What is the SMILES notation for (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide?
The canonical SMILES for (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide is CCCCC/C=C/CCCC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide?
The InChIKey is QJFBVQUFPMOHQK-QUAMNOPSSA-N. The full InChI is InChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h8-9,14-17,19H,4-7,10-13,18H2,1-3H3,(H,21,22)/b9-8+,15-14+,17-16+.
What are the key properties of (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide?
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide has a molecular weight of 305.51 g/mol, XLogP of 5.57, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide is sourced from PubChem (CID 91697623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).