N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide

C13H18N2O3 — CID 77057898

IUPACN'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)10-3-5-12(6-4-10)18-9-7-11-2-1-8-17-11/h3-6,11,16H,1-2,7-9H2,(H2,14,15)
InChIKeyVSSFHVHWVRQXKM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.73
Rot. Bonds5

About N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 77057898) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
PubChem CID77057898
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)10-3-5-12(6-4-10)18-9-7-11-2-1-8-17-11/h3-6,11,16H,1-2,7-9H2,(H2,14,15)
InChIKeyVSSFHVHWVRQXKM-UHFFFAOYSA-N
XLogP1.73
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.73
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

3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057918
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
CID 77057892
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
N'-hydroxy-4-[2-(oxan-4-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 76980177
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
CID 65166577
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (CID 77057898) is N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is NC(=NO)c1ccc(OCCC2CCCO2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is VSSFHVHWVRQXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(15-16)10-3-5-12(6-4-10)18-9-7-11-2-1-8-17-11/h3-6,11,16H,1-2,7-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 77057898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).