(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide

C16H27NO — CID 5275516

IUPAC(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
SMILESCNC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(18)17-5/h8,10,12H,6-7,9,11H2,1-5H3,(H,17,18)/b14-10+,15-12+
InChIKeyZDLDMEMVVICZSK-VDQVFBMKSA-N
MW249.40 g/mol
LogP4.15
Rot. Bonds7

About (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide

(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide (PubChem CID 5275516) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
PubChem CID5275516
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
SMILESCNC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(18)17-5/h8,10,12H,6-7,9,11H2,1-5H3,(H,17,18)/b14-10+,15-12+
InChIKeyZDLDMEMVVICZSK-VDQVFBMKSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-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,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide (CID 5275516) is (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide is CNC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
The InChIKey is ZDLDMEMVVICZSK-VDQVFBMKSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(18)17-5/h8,10,12H,6-7,9,11H2,1-5H3,(H,17,18)/b14-10+,15-12+.
What are the key properties of (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide has a molecular weight of 249.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 5275516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).