N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide

C14H18N2O3 — CID 163506559

IUPACN'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide
SMILESCC(C)c1oc2ccccc2c1OCCC(N)=NO
InChIInChI=1S/C14H18N2O3/c1-9(2)13-14(18-8-7-12(15)16-17)10-5-3-4-6-11(10)19-13/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16)
InChIKeyCZAYZJMESZDWOE-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.07
Rot. Bonds5

About N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide

N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide (PubChem CID 163506559) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide
PubChem CID163506559
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide
SMILESCC(C)c1oc2ccccc2c1OCCC(N)=NO
InChIInChI=1S/C14H18N2O3/c1-9(2)13-14(18-8-7-12(15)16-17)10-5-3-4-6-11(10)19-13/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16)
InChIKeyCZAYZJMESZDWOE-UHFFFAOYSA-N
XLogP3.07
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.07
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-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
CID 54396511
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide
CID 107912473
[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine
CID 113399619
N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide
CID 43128728
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674
dibenzofuran;ethanol
CID 174821059
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 63223801
3-[(2-chlorophenyl)methoxy]-N'-hydroxypropanimidamide
CID 24694095
[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine
CID 106721620
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide (CID 163506559) is N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide is CC(C)c1oc2ccccc2c1OCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide?
The InChIKey is CZAYZJMESZDWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)13-14(18-8-7-12(15)16-17)10-5-3-4-6-11(10)19-13/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide?
N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide has a molecular weight of 262.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide is sourced from PubChem (CID 163506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).