2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine

C18H20N4O2 — CID 136821385

IUPAC2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine
SMILESCOc1cc(/C=C(C(\C)=N\N=C(N)N)/c2ccccc2)ccc1O
InChIInChI=1S/C18H20N4O2/c1-12(21-22-18(19)20)15(14-6-4-3-5-7-14)10-13-8-9-16(23)17(11-13)24-2/h3-11,23H,1-2H3,(H4,19,20,22)/b15-10+,21-12+
InChIKeyKMAGPDRBTLGUES-ZPDWWOFUSA-N
MW324.38 g/mol
LogP2.59
Rot. Bonds5

About 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine

2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine (PubChem CID 136821385) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine
PubChem CID136821385
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine
SMILESCOc1cc(/C=C(C(\C)=N\N=C(N)N)/c2ccccc2)ccc1O
InChIInChI=1S/C18H20N4O2/c1-12(21-22-18(19)20)15(14-6-4-3-5-7-14)10-13-8-9-16(23)17(11-13)24-2/h3-11,23H,1-2H3,(H4,19,20,22)/b15-10+,21-12+
InChIKeyKMAGPDRBTLGUES-ZPDWWOFUSA-N
XLogP2.59
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174791707
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
4-ethenyl-2-methoxyphenol;1-phenylethanone
CID 174742871
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
(Z)-2-benzoyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
CID 21142147
2-[3-[[(E)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764286
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
ethanethial;(E)-3-(4-hydroxy-3-methoxyphenyl)-N',2-dimethylprop-2-enimidamide
CID 153334122
(E)-5-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-1-phenylpent-4-ene-1,3-dione
CID 68817069
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
2-chloro-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 165355248

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine (CID 136821385) is 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine is COc1cc(/C=C(C(\C)=N\N=C(N)N)/c2ccccc2)ccc1O.
What is the InChIKey of 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine?
The InChIKey is KMAGPDRBTLGUES-ZPDWWOFUSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(21-22-18(19)20)15(14-6-4-3-5-7-14)10-13-8-9-16(23)17(11-13)24-2/h3-11,23H,1-2H3,(H4,19,20,22)/b15-10+,21-12+.
What are the key properties of 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine?
2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine has a molecular weight of 324.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(Z)-4-(4-hydroxy-3-methoxyphenyl)-3-phenylbut-3-en-2-ylidene]amino]guanidine is sourced from PubChem (CID 136821385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).