N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide

C13H18N2O4 — CID 103567613

IUPACN'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(OCC2CCOC2)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H18N2O4/c1-17-11-4-10(13(14)15-16)5-12(6-11)19-8-9-2-3-18-7-9/h4-6,9,16H,2-3,7-8H2,1H3,(H2,14,15)
InChIKeyZTCPWWYDWLQIBQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.21
Rot. Bonds5

About N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide (PubChem CID 103567613) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
PubChem CID103567613
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(OCC2CCOC2)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H18N2O4/c1-17-11-4-10(13(14)15-16)5-12(6-11)19-8-9-2-3-18-7-9/h4-6,9,16H,2-3,7-8H2,1H3,(H2,14,15)
InChIKeyZTCPWWYDWLQIBQ-UHFFFAOYSA-N
XLogP1.21
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.21
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-3-methoxy-5-(oxolan-3-ylmethoxy)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

3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 103567506
3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide
CID 103568039
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567498
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide (CID 103567613) is N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide is COc1cc(OCC2CCOC2)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is ZTCPWWYDWLQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-11-4-10(13(14)15-16)5-12(6-11)19-8-9-2-3-18-7-9/h4-6,9,16H,2-3,7-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 266.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 103567613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).