N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide

C10H14N2O4 — CID 43140206

IUPACN'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(OC)c1OC
InChIInChI=1S/C10H14N2O4/c1-14-7-5-4-6(10(11)12-13)8(15-2)9(7)16-3/h4-5,13H,1-3H3,(H2,11,12)
InChIKeyWDYILTKEMCYHPX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.81
Rot. Bonds4

About N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide

N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide (PubChem CID 43140206) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
PubChem CID43140206
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(OC)c1OC
InChIInChI=1S/C10H14N2O4/c1-14-7-5-4-6(10(11)12-13)8(15-2)9(7)16-3/h4-5,13H,1-3H3,(H2,11,12)
InChIKeyWDYILTKEMCYHPX-UHFFFAOYSA-N
XLogP0.81
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.81
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
CID 121222968
N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
CID 121290420
[(Z)-[amino(phenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19290138
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19293785
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride
CID 106892052
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 83881115

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide (CID 43140206) is N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(OC)c1OC.
What is the InChIKey of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?
The InChIKey is WDYILTKEMCYHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-14-7-5-4-6(10(11)12-13)8(15-2)9(7)16-3/h4-5,13H,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide has a molecular weight of 226.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide is sourced from PubChem (CID 43140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).