(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide

C24H28N2O2 — CID 7911825

IUPAC(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-6-7-16-28-23-14-10-20(11-15-23)17-21(18-25)24(27)26-22-12-8-19(4-2)9-13-22/h8-15,17H,3-7,16H2,1-2H3,(H,26,27)/b21-17+
InChIKeyIPLZAGKRBSXIIT-HEHNFIMWSA-N
MW376.50 g/mol
LogP5.75
Rot. Bonds10

About (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide

(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide (PubChem CID 7911825) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide
PubChem CID7911825
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-6-7-16-28-23-14-10-20(11-15-23)17-21(18-25)24(27)26-22-12-8-19(4-2)9-13-22/h8-15,17H,3-7,16H2,1-2H3,(H,26,27)/b21-17+
InChIKeyIPLZAGKRBSXIIT-HEHNFIMWSA-N
XLogP5.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.75
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide (CID 7911825) is (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide is CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide?
The InChIKey is IPLZAGKRBSXIIT-HEHNFIMWSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-5-6-7-16-28-23-14-10-20(11-15-23)17-21(18-25)24(27)26-22-12-8-19(4-2)9-13-22/h8-15,17H,3-7,16H2,1-2H3,(H,26,27)/b21-17+.
What are the key properties of (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7911825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).