N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride

C13H15ClN2O2 — CID 160507416

IUPACN'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
SMILESCC(Oc1ccc2ccccc2c1)C(N)=NO.Cl
InChIInChI=1S/C13H14N2O2.ClH/c1-9(13(14)15-16)17-12-7-6-10-4-2-3-5-11(10)8-12;/h2-9,16H,1H3,(H2,14,15);1H
InChIKeyQSPBUHCNWRGTRX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.78
Rot. Bonds3

About N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride

N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride (PubChem CID 160507416) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
PubChem CID160507416
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
SMILESCC(Oc1ccc2ccccc2c1)C(N)=NO.Cl
InChIInChI=1S/C13H14N2O2.ClH/c1-9(13(14)15-16)17-12-7-6-10-4-2-3-5-11(10)8-12;/h2-9,16H,1H3,(H2,14,15);1H
InChIKeyQSPBUHCNWRGTRX-UHFFFAOYSA-N
XLogP2.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
CID 76914985
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
2-naphthalen-2-yloxypropane-1,1-diol
CID 91391237
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
CID 95706030
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
CID 87580087

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride?
The IUPAC name of N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride (CID 160507416) is N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride.
What is the SMILES notation for N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride?
The canonical SMILES for N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride is CC(Oc1ccc2ccccc2c1)C(N)=NO.Cl.
What is the InChIKey of N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride?
The InChIKey is QSPBUHCNWRGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c1-9(13(14)15-16)17-12-7-6-10-4-2-3-5-11(10)8-12;/h2-9,16H,1H3,(H2,14,15);1H.
What are the key properties of N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride?
N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride is sourced from PubChem (CID 160507416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).