N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide

C11H16N2O3 — CID 114987511

IUPACN'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
SMILESCC(COc1ccc(CO)cc1)/C(N)=N/O
InChIInChI=1S/C11H16N2O3/c1-8(11(12)13-15)7-16-10-4-2-9(6-14)3-5-10/h2-5,8,14-15H,6-7H2,1H3,(H2,12,13)
InChIKeyFLIWUROIBJWZJJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.94
Rot. Bonds5

About N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide

N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide (PubChem CID 114987511) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
PubChem CID114987511
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
SMILESCC(COc1ccc(CO)cc1)/C(N)=N/O
InChIInChI=1S/C11H16N2O3/c1-8(11(12)13-15)7-16-10-4-2-9(6-14)3-5-10/h2-5,8,14-15H,6-7H2,1H3,(H2,12,13)
InChIKeyFLIWUROIBJWZJJ-UHFFFAOYSA-N
XLogP0.94
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide 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

[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
CID 118229829
N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
CID 77031375
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43175176
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64810173
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43368325
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
CID 172940678
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide (CID 114987511) is N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide is CC(COc1ccc(CO)cc1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide?
The InChIKey is FLIWUROIBJWZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(12)13-15)7-16-10-4-2-9(6-14)3-5-10/h2-5,8,14-15H,6-7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide?
N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide has a molecular weight of 224.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide is sourced from PubChem (CID 114987511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).