N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide

C13H18N2O3 — CID 77013671

IUPACN'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide
SMILESNC(Cc1ccc(OC2CCOCC2)cc1)=NO
InChIInChI=1S/C13H18N2O3/c14-13(15-16)9-10-1-3-11(4-2-10)18-12-5-7-17-8-6-12/h1-4,12,16H,5-9H2,(H2,14,15)
InChIKeyAZJBTMWCAHTRDC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.53
Rot. Bonds4

About N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide

N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide (PubChem CID 77013671) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide
PubChem CID77013671
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide
SMILESNC(Cc1ccc(OC2CCOCC2)cc1)=NO
InChIInChI=1S/C13H18N2O3/c14-13(15-16)9-10-1-3-11(4-2-10)18-12-5-7-17-8-6-12/h1-4,12,16H,5-9H2,(H2,14,15)
InChIKeyAZJBTMWCAHTRDC-UHFFFAOYSA-N
XLogP1.53
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.53
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

2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646
N-[4-[4-(oxan-4-yloxy)phenyl]butan-2-ylidene]hydroxylamine
CID 77013717
4-(4-benzylphenoxy)oxane
CID 142700383
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide
CID 126798579
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
4-[4-(oxan-4-yloxy)phenyl]butan-2-one
CID 63937035
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
CID 77057892
4-[[4-(oxan-4-yloxy)anilino]methyl]aniline
CID 59230554
4-phenoxyoxane
CID 58483739
(3S,5R)-1-[2-[4-(oxan-4-yloxy)phenyl]ethyl]piperidine-3,4,5-triol
CID 166834263

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide (CID 77013671) is N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide is NC(Cc1ccc(OC2CCOCC2)cc1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide?
The InChIKey is AZJBTMWCAHTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(15-16)9-10-1-3-11(4-2-10)18-12-5-7-17-8-6-12/h1-4,12,16H,5-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide?
N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide has a molecular weight of 250.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide is sourced from PubChem (CID 77013671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).