2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine

C18H20N4O2 — CID 127035002

IUPAC2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESCOc1ccc(/C=C/C(=N/N=C(N)N)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N4O2/c1-23-16-11-9-13(12-17(16)24-2)8-10-15(21-22-18(19)20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H4,19,20,22)/b10-8+,21-15-
InChIKeyZIKPYRZGKMGSDE-KEVQCPTFSA-N
MW324.38 g/mol
LogP2.39
Rot. Bonds6

About 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine (PubChem CID 127035002) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
PubChem CID127035002
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESCOc1ccc(/C=C/C(=N/N=C(N)N)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N4O2/c1-23-16-11-9-13(12-17(16)24-2)8-10-15(21-22-18(19)20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H4,19,20,22)/b10-8+,21-15-
InChIKeyZIKPYRZGKMGSDE-KEVQCPTFSA-N
XLogP2.39
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tofisopam
CID 5502
Dextofisopam
CID 204105
Levotofisopam
CID 7048810
Veratraldehyde azine
CID 9566466
1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
Ethanone, 1-(3,4-dimethoxyphenyl)-, oxime, (Z)-
CID 5709027
(E)-2-(1-(3,4-dimethoxyphenyl)propylidene)hydrazinecarboxamide
CID 9634169
2-(2,7-dimethoxy-9H-fluoren-9-ylidene)hydrazinecarboximidamide
CID 4562063
2-[(3,4-Dibenzoxybenzylidene)amino]guanidine
CID 16239425
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
2-[(3-Ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine
CID 2270185
N''-{(E)-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}carbonohydrazonic diamide
CID 5348593

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine (CID 127035002) is 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine is COc1ccc(/C=C/C(=N/N=C(N)N)c2ccccc2)cc1OC.
What is the InChIKey of 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is ZIKPYRZGKMGSDE-KEVQCPTFSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-23-16-11-9-13(12-17(16)24-2)8-10-15(21-22-18(19)20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H4,19,20,22)/b10-8+,21-15-.
What are the key properties of 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 324.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 127035002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).