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

C14H14N2O3 — CID 43188223

IUPACN'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-18-11-6-8-13(9-7-11)19-12-4-2-10(3-5-12)14(15)16-17/h2-9,17H,1H3,(H2,15,16)
InChIKeyRNOQUGZWBZSMJU-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.58
Rot. Bonds4

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

N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide (PubChem CID 43188223) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
PubChem CID43188223
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-18-11-6-8-13(9-7-11)19-12-4-2-10(3-5-12)14(15)16-17/h2-9,17H,1H3,(H2,15,16)
InChIKeyRNOQUGZWBZSMJU-UHFFFAOYSA-N
XLogP2.58
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.58
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

N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
4-[3-amino-5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]-N'-hydroxybenzenecarboximidamide
CID 87574257
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 43128315
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide (CID 43188223) is N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide is COc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1.
What is the InChIKey of N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is RNOQUGZWBZSMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-11-6-8-13(9-7-11)19-12-4-2-10(3-5-12)14(15)16-17/h2-9,17H,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide?
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 258.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 43188223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).