(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide

C16H25NO2 — CID 88969774

IUPAC(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CC/C=C\C1OC1C
InChIInChI=1S/C16H25NO2/c1-13(2)12-17-16(18)11-9-7-5-4-6-8-10-15-14(3)19-15/h5,7-11,13-15H,4,6,12H2,1-3H3,(H,17,18)/b7-5+,10-8-,11-9+
InChIKeyWFPROLUNQSPNAR-FZRDAHGWSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds8

About (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide

(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide (PubChem CID 88969774) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
PubChem CID88969774
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CC/C=C\C1OC1C
InChIInChI=1S/C16H25NO2/c1-13(2)12-17-16(18)11-9-7-5-4-6-8-10-15-14(3)19-15/h5,7-11,13-15H,4,6,12H2,1-3H3,(H,17,18)/b7-5+,10-8-,11-9+
InChIKeyWFPROLUNQSPNAR-FZRDAHGWSA-N
XLogP2.99
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-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)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide (CID 88969774) is (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide is CC(C)CNC(=O)/C=C/C=C/CC/C=C\C1OC1C.
What is the InChIKey of (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide?
The InChIKey is WFPROLUNQSPNAR-FZRDAHGWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)12-17-16(18)11-9-7-5-4-6-8-10-15-14(3)19-15/h5,7-11,13-15H,4,6,12H2,1-3H3,(H,17,18)/b7-5+,10-8-,11-9+.
What are the key properties of (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide?
(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide has a molecular weight of 263.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide is sourced from PubChem (CID 88969774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).