N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide

C11H16N2O3 — CID 24695934

IUPACN'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
SMILESCOc1cccc(COCC/C(N)=N/O)c1
InChIInChI=1S/C11H16N2O3/c1-15-10-4-2-3-9(7-10)8-16-6-5-11(12)13-14/h2-4,7,14H,5-6,8H2,1H3,(H2,12,13)
InChIKeyUJEVBMZMQMENKS-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds6

About N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide

N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide (PubChem CID 24695934) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
PubChem CID24695934
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
SMILESCOc1cccc(COCC/C(N)=N/O)c1
InChIInChI=1S/C11H16N2O3/c1-15-10-4-2-3-9(7-10)8-16-6-5-11(12)13-14/h2-4,7,14H,5-6,8H2,1H3,(H2,12,13)
InChIKeyUJEVBMZMQMENKS-UHFFFAOYSA-N
XLogP1.35
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': '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-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 54966332
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
3-[(3-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 24701742
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide (CID 24695934) is N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide is COc1cccc(COCC/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide?
The InChIKey is UJEVBMZMQMENKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-10-4-2-3-9(7-10)8-16-6-5-11(12)13-14/h2-4,7,14H,5-6,8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide?
N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide has a molecular weight of 224.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide is sourced from PubChem (CID 24695934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).