(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide

C19H33NO2Si — CID 158854274

IUPAC(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCOCC#C[Si](C)(C)C
InChIInChI=1S/C19H33NO2Si/c1-18(2)17-20-19(21)13-10-8-6-7-9-11-14-22-15-12-16-23(3,4)5/h6,8,10,13,18H,7,9,11,14-15,17H2,1-5H3,(H,20,21)/b8-6+,13-10+
InChIKeyIZVNRHFEKIILLK-YXBXOZLWSA-N
MW335.56 g/mol
LogP3.94
Rot. Bonds10

About (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide (PubChem CID 158854274) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide
PubChem CID158854274
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCOCC#C[Si](C)(C)C
InChIInChI=1S/C19H33NO2Si/c1-18(2)17-20-19(21)13-10-8-6-7-9-11-14-22-15-12-16-23(3,4)5/h6,8,10,13,18H,7,9,11,14-15,17H2,1-5H3,(H,20,21)/b8-6+,13-10+
InChIKeyIZVNRHFEKIILLK-YXBXOZLWSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 19898632
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
(2E,4E)-12-(2-chloropyrimidin-4-yl)oxy-N-(2-methylpropyl)dodeca-2,4-dienamide
CID 18946531
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide (CID 158854274) is (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCCOCC#C[Si](C)(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide?
The InChIKey is IZVNRHFEKIILLK-YXBXOZLWSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-18(2)17-20-19(21)13-10-8-6-7-9-11-14-22-15-12-16-23(3,4)5/h6,8,10,13,18H,7,9,11,14-15,17H2,1-5H3,(H,20,21)/b8-6+,13-10+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide has a molecular weight of 335.56 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide is sourced from PubChem (CID 158854274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).