N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide

C19H17N3O — CID 118714224

IUPACN'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide
SMILESN/C(=N\N=C\c1ccccc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C19H17N3O/c20-19(22-21-13-14-7-2-1-3-8-14)18(23)17-12-6-10-15-9-4-5-11-16(15)17/h1-13,18,23H,(H2,20,22)/b21-13+
InChIKeyYWFQITKFMDKIMS-FYJGNVAPSA-N
MW303.37 g/mol
LogP3.26
Rot. Bonds4

About N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide

N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide (PubChem CID 118714224) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide
PubChem CID118714224
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide
SMILESN/C(=N\N=C\c1ccccc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C19H17N3O/c20-19(22-21-13-14-7-2-1-3-8-14)18(23)17-12-6-10-15-9-4-5-11-16(15)17/h1-13,18,23H,(H2,20,22)/b21-13+
InChIKeyYWFQITKFMDKIMS-FYJGNVAPSA-N
XLogP3.26
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.26
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide?
The IUPAC name of N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide (CID 118714224) is N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide is N/C(=N\N=C\c1ccccc1)C(O)c1cccc2ccccc12.
What is the InChIKey of N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide?
The InChIKey is YWFQITKFMDKIMS-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17N3O/c20-19(22-21-13-14-7-2-1-3-8-14)18(23)17-12-6-10-15-9-4-5-11-16(15)17/h1-13,18,23H,(H2,20,22)/b21-13+.
What are the key properties of N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide?
N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide has a molecular weight of 303.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-2-hydroxy-2-naphthalen-1-ylethanimidamide is sourced from PubChem (CID 118714224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).