(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide

C14H23NO3 — CID 130413228

IUPAC(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide
SMILESC=CC(C=CC(/C=C(\C)C(=O)NCC)OC)OC
InChIInChI=1S/C14H23NO3/c1-6-12(17-4)8-9-13(18-5)10-11(3)14(16)15-7-2/h6,8-10,12-13H,1,7H2,2-5H3,(H,15,16)/b9-8?,11-10+
InChIKeyLNTICBWHEINCMN-VVKPDYKWSA-N
MW253.34 g/mol
LogP1.84
Rot. Bonds8

About (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide

(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide (PubChem CID 130413228) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide.

Molecular Properties

Compound Name(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide
PubChem CID130413228
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide
SMILESC=CC(C=CC(/C=C(\C)C(=O)NCC)OC)OC
InChIInChI=1S/C14H23NO3/c1-6-12(17-4)8-9-13(18-5)10-11(3)14(16)15-7-2/h6,8-10,12-13H,1,7H2,2-5H3,(H,15,16)/b9-8?,11-10+
InChIKeyLNTICBWHEINCMN-VVKPDYKWSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-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)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide?
The IUPAC name of (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide (CID 130413228) is (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide.
What is the SMILES notation for (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide?
The canonical SMILES for (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide is C=CC(C=CC(/C=C(\C)C(=O)NCC)OC)OC.
What is the InChIKey of (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide?
The InChIKey is LNTICBWHEINCMN-VVKPDYKWSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-12(17-4)8-9-13(18-5)10-11(3)14(16)15-7-2/h6,8-10,12-13H,1,7H2,2-5H3,(H,15,16)/b9-8?,11-10+.
What are the key properties of (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide?
(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide has a molecular weight of 253.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide is sourced from PubChem (CID 130413228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).