N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide

C11H16N2O3 — CID 77014267

IUPACN'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
SMILESCOCc1cccc(OC(C)C(N)=NO)c1
InChIInChI=1S/C11H16N2O3/c1-8(11(12)13-14)16-10-5-3-4-9(6-10)7-15-2/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyXQOMVAZYFOMPHC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds5

About N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide

N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide (PubChem CID 77014267) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
PubChem CID77014267
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
SMILESCOCc1cccc(OC(C)C(N)=NO)c1
InChIInChI=1S/C11H16N2O3/c1-8(11(12)13-14)16-10-5-3-4-9(6-10)7-15-2/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyXQOMVAZYFOMPHC-UHFFFAOYSA-N
XLogP1.35
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.35
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

2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
CID 160507416
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate
CID 89196821
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide (CID 77014267) is N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide is COCc1cccc(OC(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide?
The InChIKey is XQOMVAZYFOMPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(12)13-14)16-10-5-3-4-9(6-10)7-15-2/h3-6,8,14H,7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide?
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide has a molecular weight of 224.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide is sourced from PubChem (CID 77014267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).