(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide

C16H16N2O2 — CID 135399881

IUPAC(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
SMILESCOc1ccc(/N=C(N)/C=C(\O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-14-9-7-13(8-10-14)18-16(17)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,17,18)/b15-11-
InChIKeyZAVJPOZGXJQEBE-PTNGSMBKSA-N
MW268.32 g/mol
LogP3.28
Rot. Bonds4

About (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide

(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide (PubChem CID 135399881) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
PubChem CID135399881
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
SMILESCOc1ccc(/N=C(N)/C=C(\O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-14-9-7-13(8-10-14)18-16(17)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,17,18)/b15-11-
InChIKeyZAVJPOZGXJQEBE-PTNGSMBKSA-N
XLogP3.28
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-(2,6-dimethoxy-3-pyridinyl)-3-hydroxy-3-phenylprop-2-enimidamide
CID 135466466
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine
CID 145427555
[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
CID 101430985
(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
CID 135428230
(2E,4E)-N-(4-methoxyphenyl)-1,5-diphenylpenta-2,4-dien-1-imine
CID 134851984
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
CID 59789851

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide?
The IUPAC name of (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide (CID 135399881) is (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide?
The canonical SMILES for (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide is COc1ccc(/N=C(N)/C=C(\O)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide?
The InChIKey is ZAVJPOZGXJQEBE-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-14-9-7-13(8-10-14)18-16(17)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,17,18)/b15-11-.
What are the key properties of (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide?
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide has a molecular weight of 268.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide is sourced from PubChem (CID 135399881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).