N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide

C12H18N2O2 — CID 114483267

IUPACN'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
SMILESCCCOCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C12H18N2O2/c1-3-6-16-8-11-5-4-10(7-9(11)2)12(13)14-15/h4-5,7,15H,3,6,8H2,1-2H3,(H2,13,14)
InChIKeyPTRLZCDMVSABER-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.02
Rot. Bonds5

About N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide

N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide (PubChem CID 114483267) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
PubChem CID114483267
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
SMILESCCCOCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C12H18N2O2/c1-3-6-16-8-11-5-4-10(7-9(11)2)12(13)14-15/h4-5,7,15H,3,6,8H2,1-2H3,(H2,13,14)
InChIKeyPTRLZCDMVSABER-UHFFFAOYSA-N
XLogP2.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-4-(propoxymethyl)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-methyl-4-(propoxymethyl)benzenecarbothioamide
CID 114482242
N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide
CID 114483258
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483245
N'-hydroxy-3-methyl-4-[(4-methylsulfanylphenoxy)methyl]benzenecarboximidamide
CID 114483292
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
N'-hydroxy-3-methyl-4-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide
CID 114483234
4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484067
N'-hydroxy-3-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)benzenecarboximidamide
CID 114483312
4-[(3-ethoxypropylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482681
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide (CID 114483267) is N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide is CCCOCc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide?
The InChIKey is PTRLZCDMVSABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-6-16-8-11-5-4-10(7-9(11)2)12(13)14-15/h4-5,7,15H,3,6,8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide?
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 114483267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).