(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide

C18H25NO — CID 14015869

IUPAC(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCCc1ccccc1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
InChIKeyJDDRCLDJHAZTTI-WXGDJGGUSA-N
MW271.40 g/mol
LogP4.04
Rot. Bonds9

About (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide

(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide (PubChem CID 14015869) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide
PubChem CID14015869
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCCc1ccccc1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
InChIKeyJDDRCLDJHAZTTI-WXGDJGGUSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenylethyl)deca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide (CID 14015869) is (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NCCc1ccccc1.
What is the InChIKey of (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide?
The InChIKey is JDDRCLDJHAZTTI-WXGDJGGUSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+.
What are the key properties of (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide?
(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide has a molecular weight of 271.40 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide is sourced from PubChem (CID 14015869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).