N'-hydroxy-4-(2-phenylphenoxy)butanimidamide

C16H18N2O2 — CID 24695153

IUPACN'-hydroxy-4-(2-phenylphenoxy)butanimidamide
SMILESN/C(CCCOc1ccccc1-c1ccccc1)=N\O
InChIInChI=1S/C16H18N2O2/c17-16(18-19)11-6-12-20-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,19H,6,11-12H2,(H2,17,18)
InChIKeyBAFCGJNJGKFIPO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.26
Rot. Bonds6

About N'-hydroxy-4-(2-phenylphenoxy)butanimidamide

N'-hydroxy-4-(2-phenylphenoxy)butanimidamide (PubChem CID 24695153) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-hydroxy-4-(2-phenylphenoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-phenylphenoxy)butanimidamide
PubChem CID24695153
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN'-hydroxy-4-(2-phenylphenoxy)butanimidamide
SMILESN/C(CCCOc1ccccc1-c1ccccc1)=N\O
InChIInChI=1S/C16H18N2O2/c17-16(18-19)11-6-12-20-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,19H,6,11-12H2,(H2,17,18)
InChIKeyBAFCGJNJGKFIPO-UHFFFAOYSA-N
XLogP3.26
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.26
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

N'-hydroxy-2-(2-phenylphenoxy)ethanimidamide;hydrochloride
CID 117067574
3-(2-phenylphenoxy)propanethioamide
CID 7745595
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
CID 76905930
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179
1-octadecoxy-2-phenylbenzene
CID 70983974

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-phenylphenoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-phenylphenoxy)butanimidamide (CID 24695153) is N'-hydroxy-4-(2-phenylphenoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-phenylphenoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-phenylphenoxy)butanimidamide is N/C(CCCOc1ccccc1-c1ccccc1)=N\O.
What is the InChIKey of N'-hydroxy-4-(2-phenylphenoxy)butanimidamide?
The InChIKey is BAFCGJNJGKFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(18-19)11-6-12-20-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,19H,6,11-12H2,(H2,17,18).
What are the key properties of N'-hydroxy-4-(2-phenylphenoxy)butanimidamide?
N'-hydroxy-4-(2-phenylphenoxy)butanimidamide has a molecular weight of 270.33 g/mol, XLogP of 3.26, 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-phenylphenoxy)butanimidamide is sourced from PubChem (CID 24695153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).