(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide

C18H31NO — CID 73355665

IUPAC(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+
InChIKeyRVYUTDKHUFWTFC-RFYAXJIXSA-N
MW277.45 g/mol
LogP4.79
Rot. Bonds11

About (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide

(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide (PubChem CID 73355665) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
PubChem CID73355665
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+
InChIKeyRVYUTDKHUFWTFC-RFYAXJIXSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.79
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,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide (CID 73355665) is (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide is CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The InChIKey is RVYUTDKHUFWTFC-RFYAXJIXSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+.
What are the key properties of (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide has a molecular weight of 277.45 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide is sourced from PubChem (CID 73355665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).