N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide

C13H18N2O4 — CID 81303944

IUPACN'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(OC2CCOCC2)c1
InChIInChI=1S/C13H18N2O4/c1-17-10-2-3-11(13(14)15-16)12(8-10)19-9-4-6-18-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H2,14,15)
InChIKeyMGEUDSNZRJWLPX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds4

About N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide

N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide (PubChem CID 81303944) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
PubChem CID81303944
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(OC2CCOCC2)c1
InChIInChI=1S/C13H18N2O4/c1-17-10-2-3-11(13(14)15-16)12(8-10)19-9-4-6-18-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H2,14,15)
InChIKeyMGEUDSNZRJWLPX-UHFFFAOYSA-N
XLogP1.35
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
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'}

Analyze N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
CID 82001609
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606452
2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
CID 76945209
N'-hydroxy-2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 106789335
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
N'-hydroxy-2-methoxy-4-(oxan-4-ylmethoxymethyl)benzenecarboximidamide
CID 106790406
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide (CID 81303944) is N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide is COc1ccc(/C(N)=N/O)c(OC2CCOCC2)c1.
What is the InChIKey of N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
The InChIKey is MGEUDSNZRJWLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-10-2-3-11(13(14)15-16)12(8-10)19-9-4-6-18-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide has a molecular weight of 266.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide is sourced from PubChem (CID 81303944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).