N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide

C16H18N2O2 — CID 20763545

IUPACN-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
SMILESON/C=N/c1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c19-18-13-17-15-8-10-16(11-9-15)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,17,18)
InChIKeyMIFAGVBMDJIPDO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds7

About N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide

N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide (PubChem CID 20763545) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
PubChem CID20763545
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
SMILESON/C=N/c1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c19-18-13-17-15-8-10-16(11-9-15)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,17,18)
InChIKeyMIFAGVBMDJIPDO-UHFFFAOYSA-N
XLogP3.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.34
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide
CID 20763531
N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide
CID 59104061
N-hydroxy-N'-[4-[(E)-2-phenylethenyl]phenyl]methanimidamide
CID 20763591
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide
CID 20763356
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
2-(3-phenylpropoxy)naphthalene
CID 13432986
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
(E)-2-cyano-3-[4-(3-phenylpropoxy)phenyl]prop-2-enoate
CID 23121230
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide (CID 20763545) is N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide is ON/C=N/c1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide?
The InChIKey is MIFAGVBMDJIPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-18-13-17-15-8-10-16(11-9-15)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,17,18).
What are the key properties of N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide?
N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide has a molecular weight of 270.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide is sourced from PubChem (CID 20763545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).