(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid

C21H23N3O3 — CID 21418474

IUPAC(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid
SMILESCc1ccc(N/N=C(C(=O)O)/C(=C/N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c1-16-7-9-18(10-8-16)22-23-20(21(25)26)19(17-5-3-2-4-6-17)15-24-11-13-27-14-12-24/h2-10,15,22H,11-14H2,1H3,(H,25,26)/b19-15+,23-20-
InChIKeyJDJHUNOWWQTKMZ-DLDLJLHQSA-N
MW365.43 g/mol
LogP3.22
Rot. Bonds6

About (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid

(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid (PubChem CID 21418474) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid
PubChem CID21418474
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid
SMILESCc1ccc(N/N=C(C(=O)O)/C(=C/N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c1-16-7-9-18(10-8-16)22-23-20(21(25)26)19(17-5-3-2-4-6-17)15-24-11-13-27-14-12-24/h2-10,15,22H,11-14H2,1H3,(H,25,26)/b19-15+,23-20-
InChIKeyJDJHUNOWWQTKMZ-DLDLJLHQSA-N
XLogP3.22
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E,2E)-4-morpholin-4-yl-3-phenyl-2-(phenylhydrazinylidene)but-3-enoic acid
CID 88828938
(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
CID 129293911
(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 87662755
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
CID 10786440
(3E)-4-imino-3-[(4-methylphenyl)hydrazinylidene]-4-phenylbutan-2-one
CID 11357944
N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
(2E)-2-[(4-methylphenyl)hydrazinylidene]-3-oxo-N-phenylbutanethioamide
CID 5397931
N-methyl-N-morpholin-4-ylbenzamide
CID 154120289

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid?
The IUPAC name of (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid (CID 21418474) is (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid.
What is the SMILES notation for (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid?
The canonical SMILES for (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid is Cc1ccc(N/N=C(C(=O)O)/C(=C/N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid?
The InChIKey is JDJHUNOWWQTKMZ-DLDLJLHQSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-16-7-9-18(10-8-16)22-23-20(21(25)26)19(17-5-3-2-4-6-17)15-24-11-13-27-14-12-24/h2-10,15,22H,11-14H2,1H3,(H,25,26)/b19-15+,23-20-.
What are the key properties of (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid?
(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid has a molecular weight of 365.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid is sourced from PubChem (CID 21418474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).