(2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide

C14H23NO2 — CID 178161878

IUPAC(2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide
SMILESC=C/C(=C\C=C/C)C(=O)NCCOC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-6-8-9-12(7-2)13(16)15-10-11-17-14(3,4)5/h6-9H,2,10-11H2,1,3-5H3,(H,15,16)/b8-6-,12-9+
InChIKeySAHXCCSOHGDTNI-ZHAQITPWSA-N
MW237.34 g/mol
LogP2.61
Rot. Bonds6

About (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide

(2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide (PubChem CID 178161878) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide
PubChem CID178161878
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide
SMILESC=C/C(=C\C=C/C)C(=O)NCCOC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-6-8-9-12(7-2)13(16)15-10-11-17-14(3,4)5/h6-9H,2,10-11H2,1,3-5H3,(H,15,16)/b8-6-,12-9+
InChIKeySAHXCCSOHGDTNI-ZHAQITPWSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-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,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide (CID 178161878) is (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide is C=C/C(=C\C=C/C)C(=O)NCCOC(C)(C)C.
What is the InChIKey of (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide?
The InChIKey is SAHXCCSOHGDTNI-ZHAQITPWSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-8-9-12(7-2)13(16)15-10-11-17-14(3,4)5/h6-9H,2,10-11H2,1,3-5H3,(H,15,16)/b8-6-,12-9+.
What are the key properties of (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide?
(2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide has a molecular weight of 237.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 178161878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).