4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide

C15H16N2O3 — CID 43188257

IUPAC4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C15H16N2O3/c1-2-19-12-7-9-14(10-8-12)20-13-5-3-11(4-6-13)15(16)17-18/h3-10,18H,2H2,1H3,(H2,16,17)
InChIKeySPHBLVOYKUZLDV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.97
Rot. Bonds5

About 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide

4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 43188257) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID43188257
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C15H16N2O3/c1-2-19-12-7-9-14(10-8-12)20-13-5-3-11(4-6-13)15(16)17-18/h3-10,18H,2H2,1H3,(H2,16,17)
InChIKeySPHBLVOYKUZLDV-UHFFFAOYSA-N
XLogP2.97
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.97
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

4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025374
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide (CID 43188257) is 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide is CCOc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is SPHBLVOYKUZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-19-12-7-9-14(10-8-12)20-13-5-3-11(4-6-13)15(16)17-18/h3-10,18H,2H2,1H3,(H2,16,17).
What are the key properties of 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide?
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 272.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43188257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).