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

C17H18N4O — CID 52942731

IUPAC2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESCOc1ccc(/C=C/C(=N/N=C(N)N)c2ccccc2)cc1
InChIInChI=1S/C17H18N4O/c1-22-15-10-7-13(8-11-15)9-12-16(20-21-17(18)19)14-5-3-2-4-6-14/h2-12H,1H3,(H4,18,19,21)/b12-9+,20-16-
InChIKeySFBZICBIVLTBNG-CWIUKYHQSA-N
MW294.36 g/mol
LogP2.39
Rot. Bonds5

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

2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine (PubChem CID 52942731) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
PubChem CID52942731
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESCOc1ccc(/C=C/C(=N/N=C(N)N)c2ccccc2)cc1
InChIInChI=1S/C17H18N4O/c1-22-15-10-7-13(8-11-15)9-12-16(20-21-17(18)19)14-5-3-2-4-6-14/h2-12H,1H3,(H4,18,19,21)/b12-9+,20-16-
InChIKeySFBZICBIVLTBNG-CWIUKYHQSA-N
XLogP2.39
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Benzaldehyde, 4-methoxy-, 2-((4-methoxyphenyl)methylene)hydrazone
CID 6861420
Sri-224
CID 9561005
1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
2-[(2,7-Dimethoxyfluoren-9-ylidene)amino]guanidine
CID 4562063
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
Hydrazinecarboximidamide, 2-((4-methoxyphenyl)methylene)-
CID 5343661
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
1-(-1-(4-Methoxyphenyl)-3-phenylallylidene) thiosemicarbazide (18)
CID 91899668
4'-Methoxyacetophenone, thiosemicarbazone
CID 5354108

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine (CID 52942731) is 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine is COc1ccc(/C=C/C(=N/N=C(N)N)c2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is SFBZICBIVLTBNG-CWIUKYHQSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-15-10-7-13(8-11-15)9-12-16(20-21-17(18)19)14-5-3-2-4-6-14/h2-12H,1H3,(H4,18,19,21)/b12-9+,20-16-.
What are the key properties of 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 294.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52942731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).