N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide

C12H18N2O3 — CID 114996616

IUPACN'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
SMILESCOc1ccc(COC(C)CC(N)=NO)cc1
InChIInChI=1S/C12H18N2O3/c1-9(7-12(13)14-15)17-8-10-3-5-11(16-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14)
InChIKeyVGNWTNQFMINOAG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.74
Rot. Bonds6

About N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide

N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide (PubChem CID 114996616) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
PubChem CID114996616
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
SMILESCOc1ccc(COC(C)CC(N)=NO)cc1
InChIInChI=1S/C12H18N2O3/c1-9(7-12(13)14-15)17-8-10-3-5-11(16-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14)
InChIKeyVGNWTNQFMINOAG-UHFFFAOYSA-N
XLogP1.74
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.74
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

(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
N'-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114499
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
CID 77020797
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide (CID 114996616) is N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide is COc1ccc(COC(C)CC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide?
The InChIKey is VGNWTNQFMINOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(7-12(13)14-15)17-8-10-3-5-11(16-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide?
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide has a molecular weight of 238.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide is sourced from PubChem (CID 114996616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).