(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide

C17H23NO2 — CID 5374352

IUPAC(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide
SMILESCOc1ccc(C/C=C/C=C/C(=O)NCC(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+
InChIKeyIHRWUVSXOBLEJV-DVBIZMGNSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds7

About (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide

(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide (PubChem CID 5374352) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide
PubChem CID5374352
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide
SMILESCOc1ccc(C/C=C/C=C/C(=O)NCC(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+
InChIKeyIHRWUVSXOBLEJV-DVBIZMGNSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide (CID 5374352) is (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide is COc1ccc(C/C=C/C=C/C(=O)NCC(C)C)cc1.
What is the InChIKey of (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide?
The InChIKey is IHRWUVSXOBLEJV-DVBIZMGNSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+.
What are the key properties of (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide?
(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide has a molecular weight of 273.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 5374352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).