N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide

C13H20N2O2 — CID 24689545

IUPACN'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
SMILESCC(C)c1ccccc1OCCC/C(N)=N/O
InChIInChI=1S/C13H20N2O2/c1-10(2)11-6-3-4-7-12(11)17-9-5-8-13(14)15-16/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H2,14,15)
InChIKeyQQQKTDPBIFJSHN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.72
Rot. Bonds6

About N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide

N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide (PubChem CID 24689545) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
PubChem CID24689545
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
SMILESCC(C)c1ccccc1OCCC/C(N)=N/O
InChIInChI=1S/C13H20N2O2/c1-10(2)11-6-3-4-7-12(11)17-9-5-8-13(14)15-16/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H2,14,15)
InChIKeyQQQKTDPBIFJSHN-UHFFFAOYSA-N
XLogP2.72
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
N'-hydroxy-4-(2-phenylphenoxy)butanimidamide
CID 24695153
3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
1-octoxy-2-propan-2-ylbenzene
CID 64765685
5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 76905959
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide (CID 24689545) is N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide is CC(C)c1ccccc1OCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide?
The InChIKey is QQQKTDPBIFJSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)11-6-3-4-7-12(11)17-9-5-8-13(14)15-16/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide?
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide is sourced from PubChem (CID 24689545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).