(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide

C24H28N2O2 — CID 19175266

IUPAC(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C24H28N2O2/c1-4-7-15-28-22-13-11-18(12-14-22)16-21(17-25)24(27)26-23-19(5-2)9-8-10-20(23)6-3/h8-14,16H,4-7,15H2,1-3H3,(H,26,27)/b21-16+
InChIKeyOQERBTQJYCAHAM-LTGZKZEYSA-N
MW376.50 g/mol
LogP5.54
Rot. Bonds9

About (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide

(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide (PubChem CID 19175266) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
PubChem CID19175266
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C24H28N2O2/c1-4-7-15-28-22-13-11-18(12-14-22)16-21(17-25)24(27)26-23-19(5-2)9-8-10-20(23)6-3/h8-14,16H,4-7,15H2,1-3H3,(H,26,27)/b21-16+
InChIKeyOQERBTQJYCAHAM-LTGZKZEYSA-N
XLogP5.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.54
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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Related Compounds

(E)-3-(4-butoxyphenyl)-2-cyano-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 19175199
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19174091
(E)-3-(4-butoxyphenyl)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175521
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide
CID 7911825
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
CID 7966917
4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 7970184
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 7481190
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
2-cyano-N-(2-fluorophenyl)-3-(4-hexoxyphenyl)prop-2-enamide
CID 3645178
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
(E)-2-cyano-3-(4-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19177181

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide (CID 19175266) is (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide is CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide?
The InChIKey is OQERBTQJYCAHAM-LTGZKZEYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-7-15-28-22-13-11-18(12-14-22)16-21(17-25)24(27)26-23-19(5-2)9-8-10-20(23)6-3/h8-14,16H,4-7,15H2,1-3H3,(H,26,27)/b21-16+.
What are the key properties of (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide?
(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide is sourced from PubChem (CID 19175266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).