N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide

C9H12N2O3 — CID 154186935

IUPACN'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
SMILESCOc1ccc(ONC(C)=NO)cc1
InChIInChI=1S/C9H12N2O3/c1-7(10-12)11-14-9-5-3-8(13-2)4-6-9/h3-6,12H,1-2H3,(H,10,11)
InChIKeyYZUBUYFCSZRHSG-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.39
Rot. Bonds3

About N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide

N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide (PubChem CID 154186935) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
PubChem CID154186935
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
SMILESCOc1ccc(ONC(C)=NO)cc1
InChIInChI=1S/C9H12N2O3/c1-7(10-12)11-14-9-5-3-8(13-2)4-6-9/h3-6,12H,1-2H3,(H,10,11)
InChIKeyYZUBUYFCSZRHSG-UHFFFAOYSA-N
XLogP1.39
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenoxy)carbamic acid
CID 152670091
(4-methoxyphenyl) N'-hydroxycarbamimidate
CID 71376980
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
CID 62482698
N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide
CID 134110506
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride
CID 2872295
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide
CID 87537496
N-(4-methoxyphenoxy)ethanamine
CID 88771391
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide?
The IUPAC name of N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide (CID 154186935) is N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide.
What is the SMILES notation for N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide?
The canonical SMILES for N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide is COc1ccc(ONC(C)=NO)cc1.
What is the InChIKey of N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide?
The InChIKey is YZUBUYFCSZRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7(10-12)11-14-9-5-3-8(13-2)4-6-9/h3-6,12H,1-2H3,(H,10,11).
What are the key properties of N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide?
N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide has a molecular weight of 196.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide is sourced from PubChem (CID 154186935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).