(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide

C22H25NO4 — CID 73388418

IUPAC(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide
SMILESCCC(/C=C/C(=O)Nc1ccccc1CO)=C\c1ccc(OC)cc1OC
InChIInChI=1S/C22H25NO4/c1-4-16(13-17-10-11-19(26-2)14-21(17)27-3)9-12-22(25)23-20-8-6-5-7-18(20)15-24/h5-14,24H,4,15H2,1-3H3,(H,23,25)/b12-9+,16-13+
InChIKeyJKAJTFMSNRRUNM-USJAFLQSSA-N
MW367.45 g/mol
LogP4.18
Rot. Bonds8

About (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide

(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide (PubChem CID 73388418) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide.

Molecular Properties

Compound Name(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide
PubChem CID73388418
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide
SMILESCCC(/C=C/C(=O)Nc1ccccc1CO)=C\c1ccc(OC)cc1OC
InChIInChI=1S/C22H25NO4/c1-4-16(13-17-10-11-19(26-2)14-21(17)27-3)9-12-22(25)23-20-8-6-5-7-18(20)15-24/h5-14,24H,4,15H2,1-3H3,(H,23,25)/b12-9+,16-13+
InChIKeyJKAJTFMSNRRUNM-USJAFLQSSA-N
XLogP4.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.18
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-hydroxy-2-phenylethyl)hex-2-enamide
CID 73388419
(E)-2-cyano-3-(2,4-dimethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 50927872
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
CID 115412681
(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55340337
2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
CID 9446851
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126006946
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide?
The IUPAC name of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide (CID 73388418) is (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide.
What is the SMILES notation for (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide?
The canonical SMILES for (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide is CCC(/C=C/C(=O)Nc1ccccc1CO)=C\c1ccc(OC)cc1OC.
What is the InChIKey of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide?
The InChIKey is JKAJTFMSNRRUNM-USJAFLQSSA-N. The full InChI is InChI=1S/C22H25NO4/c1-4-16(13-17-10-11-19(26-2)14-21(17)27-3)9-12-22(25)23-20-8-6-5-7-18(20)15-24/h5-14,24H,4,15H2,1-3H3,(H,23,25)/b12-9+,16-13+.
What are the key properties of (E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide?
(E,4E)-4-[(2,4-dimethoxyphenyl)methylidene]-N-[2-(hydroxymethyl)phenyl]hex-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 4.18, 8 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-(hydroxymethyl)phenyl]hex-2-enamide is sourced from PubChem (CID 73388418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).