(2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide

C15H16N2O2 — CID 2343499

IUPAC(2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
SMILESCOCCNC(=O)/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-19-11-10-17-15(18)14(12-16)9-5-8-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,18)/b8-5+,14-9+
InChIKeyKDFIWNIMLBXSHA-KBEUXKDCSA-N
MW256.31 g/mol
LogP1.91
Rot. Bonds6

About (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide

(2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide (PubChem CID 2343499) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
PubChem CID2343499
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
SMILESCOCCNC(=O)/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-19-11-10-17-15(18)14(12-16)9-5-8-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,18)/b8-5+,14-9+
InChIKeyKDFIWNIMLBXSHA-KBEUXKDCSA-N
XLogP1.91
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide (CID 2343499) is (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide is COCCNC(=O)/C(C#N)=C/C=C/c1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide?
The InChIKey is KDFIWNIMLBXSHA-KBEUXKDCSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-11-10-17-15(18)14(12-16)9-5-8-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,18)/b8-5+,14-9+.
What are the key properties of (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide?
(2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide has a molecular weight of 256.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 2343499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).