(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide

C23H27NO4 — CID 73388419

IUPAC(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide
SMILESCCC(/C=C/C(=O)NCC(O)c1ccccc1)=C\c1ccc(OC)cc1OC
InChIInChI=1S/C23H27NO4/c1-4-17(14-19-11-12-20(27-2)15-22(19)28-3)10-13-23(26)24-16-21(25)18-8-6-5-7-9-18/h5-15,21,25H,4,16H2,1-3H3,(H,24,26)/b13-10+,17-14+
InChIKeyFOCFDLKLOKXOLO-OZZAOFPBSA-N
MW381.47 g/mol
LogP3.90
Rot. Bonds9

About (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide

(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide (PubChem CID 73388419) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide.

Molecular Properties

Compound Name(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide
PubChem CID73388419
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide
SMILESCCC(/C=C/C(=O)NCC(O)c1ccccc1)=C\c1ccc(OC)cc1OC
InChIInChI=1S/C23H27NO4/c1-4-17(14-19-11-12-20(27-2)15-22(19)28-3)10-13-23(26)24-16-21(25)18-8-6-5-7-9-18/h5-15,21,25H,4,16H2,1-3H3,(H,24,26)/b13-10+,17-14+
InChIKeyFOCFDLKLOKXOLO-OZZAOFPBSA-N
XLogP3.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide
CID 73388418
(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
(E)-N-benzyl-2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 35635544
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534632
N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 2428169
2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
CID 9446851
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
O-[(E)-1-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl] N-ethylcarbamothioate
CID 88868771

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide?
The IUPAC name of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide (CID 73388419) is (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide.
What is the SMILES notation for (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide?
The canonical SMILES for (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide is CCC(/C=C/C(=O)NCC(O)c1ccccc1)=C\c1ccc(OC)cc1OC.
What is the InChIKey of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide?
The InChIKey is FOCFDLKLOKXOLO-OZZAOFPBSA-N. The full InChI is InChI=1S/C23H27NO4/c1-4-17(14-19-11-12-20(27-2)15-22(19)28-3)10-13-23(26)24-16-21(25)18-8-6-5-7-9-18/h5-15,21,25H,4,16H2,1-3H3,(H,24,26)/b13-10+,17-14+.
What are the key properties of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide?
(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide has a molecular weight of 381.47 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-(2-hydroxy-2-phenylethyl)hex-2-enamide is sourced from PubChem (CID 73388419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).