(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide

C20H19N3O2 — CID 126379771

IUPAC(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide
SMILESCN(C)c1ccc(/C=C/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-23(2)18-10-6-15(7-11-18)4-3-5-16(14-21)20(25)22-17-8-12-19(24)13-9-17/h3-13,24H,1-2H3,(H,22,25)/b4-3+,16-5-
InChIKeyGTOUDNQRWJLTEQ-MJPUSMOISA-N
MW333.39 g/mol
LogP3.56
Rot. Bonds5

About (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide

(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide (PubChem CID 126379771) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide
PubChem CID126379771
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide
SMILESCN(C)c1ccc(/C=C/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-23(2)18-10-6-15(7-11-18)4-3-5-16(14-21)20(25)22-17-8-12-19(24)13-9-17/h3-13,24H,1-2H3,(H,22,25)/b4-3+,16-5-
InChIKeyGTOUDNQRWJLTEQ-MJPUSMOISA-N
XLogP3.56
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E)-2-cyano-5-[4-(dimethylamino)phenyl]penta-2,4-dienoate
CID 20823475
(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1270006
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
4-[[2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]benzoic acid
CID 3671587
(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
CID 6106364
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108851968
2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]propanedinitrile
CID 14470354
(2E,4E)-2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]penta-2,4-dienamide;ethane
CID 143111859
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820737
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827455
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane
CID 143111852

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide (CID 126379771) is (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide is CN(C)c1ccc(/C=C/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide?
The InChIKey is GTOUDNQRWJLTEQ-MJPUSMOISA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(2)18-10-6-15(7-11-18)4-3-5-16(14-21)20(25)22-17-8-12-19(24)13-9-17/h3-13,24H,1-2H3,(H,22,25)/b4-3+,16-5-.
What are the key properties of (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide?
(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide has a molecular weight of 333.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 126379771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).