(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide

C19H27NO2 — CID 14427405

IUPAC(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-10-19(21)20-16-15-17-11-13-18(22-2)14-12-17/h7-14H,3-6,15-16H2,1-2H3,(H,20,21)/b8-7+,10-9+
InChIKeyWOVBLOXQMWZOCT-XBLVEGMJSA-N
MW301.43 g/mol
LogP4.05
Rot. Bonds10

About (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide

(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide (PubChem CID 14427405) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
PubChem CID14427405
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-10-19(21)20-16-15-17-11-13-18(22-2)14-12-17/h7-14H,3-6,15-16H2,1-2H3,(H,20,21)/b8-7+,10-9+
InChIKeyWOVBLOXQMWZOCT-XBLVEGMJSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.05
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide (CID 14427405) is (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide?
The InChIKey is WOVBLOXQMWZOCT-XBLVEGMJSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-10-19(21)20-16-15-17-11-13-18(22-2)14-12-17/h7-14H,3-6,15-16H2,1-2H3,(H,20,21)/b8-7+,10-9+.
What are the key properties of (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide?
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide has a molecular weight of 301.43 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide is sourced from PubChem (CID 14427405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).