N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide

C12H18N2O3 — CID 81277376

IUPACN'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
SMILESCOCCCOc1ccc(/C(N)=N/O)c(C)c1
InChIInChI=1S/C12H18N2O3/c1-9-8-10(17-7-3-6-16-2)4-5-11(9)12(13)14-15/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyBZBQNZBXYRQREO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.50
Rot. Bonds6

About N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide

N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide (PubChem CID 81277376) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
PubChem CID81277376
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
SMILESCOCCCOc1ccc(/C(N)=N/O)c(C)c1
InChIInChI=1S/C12H18N2O3/c1-9-8-10(17-7-3-6-16-2)4-5-11(9)12(13)14-15/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyBZBQNZBXYRQREO-UHFFFAOYSA-N
XLogP1.50
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide (CID 81277376) is N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide is COCCCOc1ccc(/C(N)=N/O)c(C)c1.
What is the InChIKey of N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide?
The InChIKey is BZBQNZBXYRQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-8-10(17-7-3-6-16-2)4-5-11(9)12(13)14-15/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide?
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide has a molecular weight of 238.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81277376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).