N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide

C13H20N2O4 — CID 106790372

IUPACN'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
SMILESCOCCCOCc1ccc(/C(N)=N/O)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-17-6-3-7-19-9-10-4-5-11(13(14)15-16)12(8-10)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15)
InChIKeyHMAXQNMOKIDIGH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.34
Rot. Bonds8

About N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide (PubChem CID 106790372) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
PubChem CID106790372
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
SMILESCOCCCOCc1ccc(/C(N)=N/O)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-17-6-3-7-19-9-10-4-5-11(13(14)15-16)12(8-10)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15)
InChIKeyHMAXQNMOKIDIGH-UHFFFAOYSA-N
XLogP1.34
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790332
N'-hydroxy-2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 106790455
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
N'-hydroxy-2-methoxy-4-(oxan-4-ylmethoxymethyl)benzenecarboximidamide
CID 106790406
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
CID 77066162
4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789360
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarbothioamide
CID 106789207

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide (CID 106790372) is N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide is COCCCOCc1ccc(/C(N)=N/O)c(OC)c1.
What is the InChIKey of N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide?
The InChIKey is HMAXQNMOKIDIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-6-3-7-19-9-10-4-5-11(13(14)15-16)12(8-10)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide has a molecular weight of 268.31 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 106790372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).