4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide

C16H17N3O2 — CID 166982103

IUPAC4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide
SMILESC=C(NN/C(=N\C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H17N3O2/c1-11(12-3-7-14(20)8-4-12)18-19-16(17-2)13-5-9-15(21)10-6-13/h3-10,18,20-21H,1H2,2H3,(H,17,19)
InChIKeyXILPRILRKWLTCQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds4

About 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide

4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide (PubChem CID 166982103) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide
PubChem CID166982103
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide
SMILESC=C(NN/C(=N\C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H17N3O2/c1-11(12-3-7-14(20)8-4-12)18-19-16(17-2)13-5-9-15(21)10-6-13/h3-10,18,20-21H,1H2,2H3,(H,17,19)
InChIKeyXILPRILRKWLTCQ-UHFFFAOYSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 54
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

N'-[1-(4-chlorophenyl)ethenyl]-4-hydroxybenzohydrazide
CID 2456682
4-hydroxy-N'-methylbenzenecarboximidamide
CID 135965183
4-hydroxy-N'-[1-(4-phenylphenyl)ethenyl]benzohydrazide
CID 2285498
4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide
CID 121428385
4-ethenyl-N,N'-dimethylbenzenecarboximidamide
CID 102533496
N-amino-N',4-dimethylbenzenecarboximidamide
CID 61360444
N'-[1-(4-hydroxyphenyl)ethenyl]pyrazine-2-carbohydrazide
CID 3484316
CID 57429516
CID 57429516
N'-[1-(4-hydroxyphenyl)ethenyl]-2-thiophen-2-ylacetohydrazide
CID 4623836
N-amino-4-chloro-N'-methylbenzenecarboximidamide
CID 61361047
2-(4-hydroxyphenyl)prop-2-enoyl chloride
CID 174874840
N-[3-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2456651

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide?
The IUPAC name of 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide (CID 166982103) is 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide is C=C(NN/C(=N\C)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide?
The InChIKey is XILPRILRKWLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(12-3-7-14(20)8-4-12)18-19-16(17-2)13-5-9-15(21)10-6-13/h3-10,18,20-21H,1H2,2H3,(H,17,19).
What are the key properties of 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide?
4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide has a molecular weight of 283.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(4-hydroxyphenyl)ethenylamino]-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 166982103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).