N'-hydroxy-4-phenylmethoxybenzenecarboximidamide

C14H14N2O2 — CID 2797654

IUPACN'-hydroxy-4-phenylmethoxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O2/c15-14(16-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,15,16)
InChIKeyQBOOJKVECPVATQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.36
Rot. Bonds4

About N'-hydroxy-4-phenylmethoxybenzenecarboximidamide

N'-hydroxy-4-phenylmethoxybenzenecarboximidamide (PubChem CID 2797654) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-hydroxy-4-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-phenylmethoxybenzenecarboximidamide
PubChem CID2797654
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN'-hydroxy-4-phenylmethoxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O2/c15-14(16-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,15,16)
InChIKeyQBOOJKVECPVATQ-UHFFFAOYSA-N
XLogP2.36
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-phenylmethoxybenzenecarboximidamide (CID 2797654) is N'-hydroxy-4-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-phenylmethoxybenzenecarboximidamide is NC(=NO)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The InChIKey is QBOOJKVECPVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14(16-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
N'-hydroxy-4-phenylmethoxybenzenecarboximidamide has a molecular weight of 242.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 2797654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).