N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide

C12H18N2O3 — CID 43368358

IUPACN'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
SMILESCOc1cc(C)ccc1OCC(C)/C(N)=N/O
InChIInChI=1S/C12H18N2O3/c1-8-4-5-10(11(6-8)16-3)17-7-9(2)12(13)14-15/h4-6,9,15H,7H2,1-3H3,(H2,13,14)
InChIKeyIXPNSONYNGJWNG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.76
Rot. Bonds5

About N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide

N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide (PubChem CID 43368358) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
PubChem CID43368358
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
SMILESCOc1cc(C)ccc1OCC(C)/C(N)=N/O
InChIInChI=1S/C12H18N2O3/c1-8-4-5-10(11(6-8)16-3)17-7-9(2)12(13)14-15/h4-6,9,15H,7H2,1-3H3,(H2,13,14)
InChIKeyIXPNSONYNGJWNG-UHFFFAOYSA-N
XLogP1.76
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43368325
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
3-amino-4-(2-methoxy-4-methylphenoxy)butanoic acid
CID 112511333
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116821019
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370450
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
CID 55190954

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide (CID 43368358) is N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide is COc1cc(C)ccc1OCC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
The InChIKey is IXPNSONYNGJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-4-5-10(11(6-8)16-3)17-7-9(2)12(13)14-15/h4-6,9,15H,7H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide has a molecular weight of 238.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide is sourced from PubChem (CID 43368358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).