(2E,4E)-N,N-diethylhexa-2,4-dienamide

C10H17NO — CID 5368935

IUPAC(2E,4E)-N,N-diethylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(CC)CC
InChIInChI=1S/C10H17NO/c1-4-7-8-9-10(12)11(5-2)6-3/h4,7-9H,5-6H2,1-3H3/b7-4+,9-8+
InChIKeyAIXGDJDDFHMRGM-NUXDXBQRSA-N
MW167.25 g/mol
LogP1.99
Rot. Bonds4

About (2E,4E)-N,N-diethylhexa-2,4-dienamide

(2E,4E)-N,N-diethylhexa-2,4-dienamide (PubChem CID 5368935) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-N,N-diethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N,N-diethylhexa-2,4-dienamide
PubChem CID5368935
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-N,N-diethylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(CC)CC
InChIInChI=1S/C10H17NO/c1-4-7-8-9-10(12)11(5-2)6-3/h4,7-9H,5-6H2,1-3H3/b7-4+,9-8+
InChIKeyAIXGDJDDFHMRGM-NUXDXBQRSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-N,N-diethylhexa-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

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N-diethylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N,N-diethylhexa-2,4-dienamide (CID 5368935) is (2E,4E)-N,N-diethylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N,N-diethylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N,N-diethylhexa-2,4-dienamide is C/C=C/C=C/C(=O)N(CC)CC.
What is the InChIKey of (2E,4E)-N,N-diethylhexa-2,4-dienamide?
The InChIKey is AIXGDJDDFHMRGM-NUXDXBQRSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-8-9-10(12)11(5-2)6-3/h4,7-9H,5-6H2,1-3H3/b7-4+,9-8+.
What are the key properties of (2E,4E)-N,N-diethylhexa-2,4-dienamide?
(2E,4E)-N,N-diethylhexa-2,4-dienamide has a molecular weight of 167.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-diethylhexa-2,4-dienamide is sourced from PubChem (CID 5368935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).