(2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide

C22H32N2O — CID 123181264

IUPAC(2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide
SMILES[H]/N=C/C(=C\C(C)C(=C)/C=C(/C)C=CCC)C(=O)NCCCC(C)=C=C
InChIInChI=1S/C22H32N2O/c1-7-9-11-18(4)14-19(5)20(6)15-21(16-23)22(25)24-13-10-12-17(3)8-2/h9,11,14-16,20,23H,2,5,7,10,12-13H2,1,3-4,6H3,(H,24,25)/b11-9?,18-14-,21-15+,23-16+
InChIKeyTZFCESKGTJVULZ-LGGKGPADSA-N
MW340.51 g/mol
LogP5.29
Rot. Bonds11

About (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide

(2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide (PubChem CID 123181264) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide
PubChem CID123181264
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name(2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide
SMILES[H]/N=C/C(=C\C(C)C(=C)/C=C(/C)C=CCC)C(=O)NCCCC(C)=C=C
InChIInChI=1S/C22H32N2O/c1-7-9-11-18(4)14-19(5)20(6)15-21(16-23)22(25)24-13-10-12-17(3)8-2/h9,11,14-16,20,23H,2,5,7,10,12-13H2,1,3-4,6H3,(H,24,25)/b11-9?,18-14-,21-15+,23-16+
InChIKeyTZFCESKGTJVULZ-LGGKGPADSA-N
XLogP5.29
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-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,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide?
The IUPAC name of (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide (CID 123181264) is (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide.
What is the SMILES notation for (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide?
The canonical SMILES for (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide is [H]/N=C/C(=C\C(C)C(=C)/C=C(/C)C=CCC)C(=O)NCCCC(C)=C=C.
What is the InChIKey of (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide?
The InChIKey is TZFCESKGTJVULZ-LGGKGPADSA-N. The full InChI is InChI=1S/C22H32N2O/c1-7-9-11-18(4)14-19(5)20(6)15-21(16-23)22(25)24-13-10-12-17(3)8-2/h9,11,14-16,20,23H,2,5,7,10,12-13H2,1,3-4,6H3,(H,24,25)/b11-9?,18-14-,21-15+,23-16+.
What are the key properties of (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide?
(2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide has a molecular weight of 340.51 g/mol, XLogP of 5.29, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2-methanimidoyl-4,7-dimethyl-N-(4-methylhexa-4,5-dienyl)-5-methylideneundeca-2,6,8-trienamide is sourced from PubChem (CID 123181264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).