(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane

C23H26N2O2 — CID 143111852

IUPAC(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane
SMILESCC.N#C/C(=C\C=C\c1ccc(O)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C21H20N2O2.C2H6/c22-16-19(10-4-8-18-11-13-20(24)14-12-18)21(25)23-15-5-9-17-6-2-1-3-7-17;1-2/h1-4,6-8,10-14,24H,5,9,15H2,(H,23,25);1-2H3/b8-4+,19-10+;
InChIKeyLNRSMEKSLTUBIY-BYYPSOHLSA-N
MW362.47 g/mol
LogP4.63
Rot. Bonds7

About (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane

(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane (PubChem CID 143111852) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane.

Molecular Properties

Compound Name(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane
PubChem CID143111852
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane
SMILESCC.N#C/C(=C\C=C\c1ccc(O)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C21H20N2O2.C2H6/c22-16-19(10-4-8-18-11-13-20(24)14-12-18)21(25)23-15-5-9-17-6-2-1-3-7-17;1-2/h1-4,6-8,10-14,24H,5,9,15H2,(H,23,25);1-2H3/b8-4+,19-10+;
InChIKeyLNRSMEKSLTUBIY-BYYPSOHLSA-N
XLogP4.63
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
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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Related Compounds

(2E,4E)-2-cyano-5-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide
CID 11595687
(2E,4E)-2-cyano-5-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide
CID 10157333
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
(2E,4E)-2-cyano-5-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]penta-2,4-dienamide
CID 11566753
(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126240561
(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126246844
(2E,4E)-2-cyano-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxyphenyl)penta-2,4-dienamide
CID 142980527
(Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126247855
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126240476
(2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide
CID 159399069
2-cyano-N-(3-imidazol-1-ylpropyl)-5-phenylpenta-2,4-dienamide
CID 3476582

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane?
The IUPAC name of (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane (CID 143111852) is (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane.
What is the SMILES notation for (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane?
The canonical SMILES for (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane is CC.N#C/C(=C\C=C\c1ccc(O)cc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane?
The InChIKey is LNRSMEKSLTUBIY-BYYPSOHLSA-N. The full InChI is InChI=1S/C21H20N2O2.C2H6/c22-16-19(10-4-8-18-11-13-20(24)14-12-18)21(25)23-15-5-9-17-6-2-1-3-7-17;1-2/h1-4,6-8,10-14,24H,5,9,15H2,(H,23,25);1-2H3/b8-4+,19-10+;.
What are the key properties of (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane?
(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane has a molecular weight of 362.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane is sourced from PubChem (CID 143111852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).