N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide

C16H18N2O3 — CID 43196897

IUPACN'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
SMILESCOc1ccc(COCc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-15-8-4-13(5-9-15)11-21-10-12-2-6-14(7-3-12)16(17)18-19/h2-9,19H,10-11H2,1H3,(H2,17,18)
InChIKeyYZPIFDSBFAKDCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds6

About N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide

N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide (PubChem CID 43196897) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
PubChem CID43196897
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
SMILESCOc1ccc(COCc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-15-8-4-13(5-9-15)11-21-10-12-2-6-14(7-3-12)16(17)18-19/h2-9,19H,10-11H2,1H3,(H2,17,18)
InChIKeyYZPIFDSBFAKDCD-UHFFFAOYSA-N
XLogP2.51
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
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-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283917
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 82788437
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide (CID 43196897) is N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide is COc1ccc(COCc2ccc(/C(N)=N/O)cc2)cc1.
What is the InChIKey of N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
The InChIKey is YZPIFDSBFAKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-8-4-13(5-9-15)11-21-10-12-2-6-14(7-3-12)16(17)18-19/h2-9,19H,10-11H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide is sourced from PubChem (CID 43196897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).