(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide

C12H19NO3 — CID 141437196

IUPAC(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
SMILESCCCCC(=O)/C=C/C=C/C(=O)N(C)OC
InChIInChI=1S/C12H19NO3/c1-4-5-8-11(14)9-6-7-10-12(15)13(2)16-3/h6-7,9-10H,4-5,8H2,1-3H3/b9-6+,10-7+
InChIKeyPQGCWGCAHDOSRJ-KZZDLZNXSA-N
MW225.29 g/mol
LogP1.88
Rot. Bonds7

About (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide

(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide (PubChem CID 141437196) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
PubChem CID141437196
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
SMILESCCCCC(=O)/C=C/C=C/C(=O)N(C)OC
InChIInChI=1S/C12H19NO3/c1-4-5-8-11(14)9-6-7-10-12(15)13(2)16-3/h6-7,9-10H,4-5,8H2,1-3H3/b9-6+,10-7+
InChIKeyPQGCWGCAHDOSRJ-KZZDLZNXSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
octadeca-2,4,6-trien-8-one
CID 154172928
non-3-ene-2,5-dione
CID 71327386
1-hydroxydeca-1,3-dien-5-one
CID 175523501
N-methoxy-N,3-dimethyldec-2-enamide
CID 142294776
(E)-1-(2-methoxyphenyl)hept-1-en-3-one
CID 132991130
dodeca-2,4-dien-6-one
CID 71412707
methyl 10,15-dioxooctadeca-11,13-dienoate
CID 71343776
(7E,9E)-tetradeca-7,9-dien-6-one
CID 102586643
tetradeca-6,8,13-trien-5-one
CID 141346589
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide
CID 158828106

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide (CID 141437196) is (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide is CCCCC(=O)/C=C/C=C/C(=O)N(C)OC.
What is the InChIKey of (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide?
The InChIKey is PQGCWGCAHDOSRJ-KZZDLZNXSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-5-8-11(14)9-6-7-10-12(15)13(2)16-3/h6-7,9-10H,4-5,8H2,1-3H3/b9-6+,10-7+.
What are the key properties of (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide?
(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide has a molecular weight of 225.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide is sourced from PubChem (CID 141437196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).