4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide

C11H15N3O3 — CID 144951822

IUPAC4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
SMILESC=NN/C(=N\C)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H15N3O3/c1-12-11(14-13-2)7-5-8(16-3)10(15)9(6-7)17-4/h5-6,15H,2H2,1,3-4H3,(H,12,14)
InChIKeyLPYSRRODLSCREG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.99
Rot. Bonds4

About 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide

4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide (PubChem CID 144951822) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
PubChem CID144951822
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
SMILESC=NN/C(=N\C)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H15N3O3/c1-12-11(14-13-2)7-5-8(16-3)10(15)9(6-7)17-4/h5-6,15H,2H2,1,3-4H3,(H,12,14)
InChIKeyLPYSRRODLSCREG-UHFFFAOYSA-N
XLogP0.99
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
CID 142911329
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
CID 71206505
CID 101406960
CID 101406960
2-methoxy-5,8-dihydronaphthalene-1,4-diol
CID 5315063
4-hydrazinyl-2,6-dimethoxyphenol
CID 57195955
1-(4-hydroxy-3,5-dimethoxyphenyl)pentane-1,2-dione
CID 134612547
2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
CID 83950774
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
CID 14993625
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
The IUPAC name of 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide (CID 144951822) is 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide is C=NN/C(=N\C)c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
The InChIKey is LPYSRRODLSCREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-11(14-13-2)7-5-8(16-3)10(15)9(6-7)17-4/h5-6,15H,2H2,1,3-4H3,(H,12,14).
What are the key properties of 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide has a molecular weight of 237.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 144951822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).