N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide

C11H16N2O4 — CID 107743240

IUPACN'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
SMILESCOc1cc(CO)ccc1OCC/C(N)=N/O
InChIInChI=1S/C11H16N2O4/c1-16-10-6-8(7-14)2-3-9(10)17-5-4-11(12)13-15/h2-3,6,14-15H,4-5,7H2,1H3,(H2,12,13)
InChIKeyDZRQEIVKZXJDPU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.70
Rot. Bonds6

About N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide

N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide (PubChem CID 107743240) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
PubChem CID107743240
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
SMILESCOc1cc(CO)ccc1OCC/C(N)=N/O
InChIInChI=1S/C11H16N2O4/c1-16-10-6-8(7-14)2-3-9(10)17-5-4-11(12)13-15/h2-3,6,14-15H,4-5,7H2,1H3,(H2,12,13)
InChIKeyDZRQEIVKZXJDPU-UHFFFAOYSA-N
XLogP0.70
TPSA97.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
CID 107744699
tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
CID 107742324
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
CID 107744213
5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylpentanethioamide
CID 107743132
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide (CID 107743240) is N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide is COc1cc(CO)ccc1OCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide?
The InChIKey is DZRQEIVKZXJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-10-6-8(7-14)2-3-9(10)17-5-4-11(12)13-15/h2-3,6,14-15H,4-5,7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide?
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide has a molecular weight of 240.26 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide is sourced from PubChem (CID 107743240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).