3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride

C14H26ClN3O4 — CID 172851283

IUPAC3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride
SMILESCCOCOc1ccc(C(N)=NO)cc1C(C)(C)C.Cl.NO
InChIInChI=1S/C14H22N2O3.ClH.H3NO/c1-5-18-9-19-12-7-6-10(13(15)16-17)8-11(12)14(2,3)4;;1-2/h6-8,17H,5,9H2,1-4H3,(H2,15,16);1H;2H,1H2
InChIKeyYCHISDXIDMLWHW-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.21
Rot. Bonds5

About 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride

3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride (PubChem CID 172851283) has the molecular formula C14H26ClN3O4 and a molecular weight of 335.83 g/mol. Its IUPAC name is 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride
PubChem CID172851283
Molecular FormulaC14H26ClN3O4
Molecular Weight335.83 g/mol
Exact Mass335.16
IUPAC Name3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride
SMILESCCOCOc1ccc(C(N)=NO)cc1C(C)(C)C.Cl.NO
InChIInChI=1S/C14H22N2O3.ClH.H3NO/c1-5-18-9-19-12-7-6-10(13(15)16-17)8-11(12)14(2,3)4;;1-2/h6-8,17H,5,9H2,1-4H3,(H2,15,16);1H;2H,1H2
InChIKeyYCHISDXIDMLWHW-UHFFFAOYSA-N
XLogP2.21
TPSA123.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
N'-hydroxy-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride?
The IUPAC name of 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride (CID 172851283) is 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride.
What is the SMILES notation for 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride?
The canonical SMILES for 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride is CCOCOc1ccc(C(N)=NO)cc1C(C)(C)C.Cl.NO.
What is the InChIKey of 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride?
The InChIKey is YCHISDXIDMLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH.H3NO/c1-5-18-9-19-12-7-6-10(13(15)16-17)8-11(12)14(2,3)4;;1-2/h6-8,17H,5,9H2,1-4H3,(H2,15,16);1H;2H,1H2.
What are the key properties of 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride?
3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride is sourced from PubChem (CID 172851283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).