2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide

C12H18N2O2 — CID 107930175

IUPAC2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCCCCOc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C12H18N2O2/c1-3-4-7-16-11-6-5-9(2)8-10(11)12(13)14-15/h5-6,8,15H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyWJOGALKZYJUTKH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.27
Rot. Bonds5

About 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide

2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930175) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930175
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCCCCOc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C12H18N2O2/c1-3-4-7-16-11-6-5-9(2)8-10(11)12(13)14-15/h5-6,8,15H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyWJOGALKZYJUTKH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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'}

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Related Compounds

N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
CID 107930155
N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 107930162
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930175) is 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide is CCCCOc1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is WJOGALKZYJUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-7-16-11-6-5-9(2)8-10(11)12(13)14-15/h5-6,8,15H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide?
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).