N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide

C24H21N3O — CID 118714248

IUPACN'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
SMILESN/C(CC(O)c1cc2ccccc2c2ccccc12)=N\N=C\c1ccccc1
InChIInChI=1S/C24H21N3O/c25-24(27-26-16-17-8-2-1-3-9-17)15-23(28)22-14-18-10-4-5-11-19(18)20-12-6-7-13-21(20)22/h1-14,16,23,28H,15H2,(H2,25,27)/b26-16+
InChIKeyDPTQVQBGBHBAQB-WGOQTCKBSA-N
MW367.45 g/mol
LogP4.81
Rot. Bonds5

About N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide

N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide (PubChem CID 118714248) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
PubChem CID118714248
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
SMILESN/C(CC(O)c1cc2ccccc2c2ccccc12)=N\N=C\c1ccccc1
InChIInChI=1S/C24H21N3O/c25-24(27-26-16-17-8-2-1-3-9-17)15-23(28)22-14-18-10-4-5-11-19(18)20-12-6-7-13-21(20)22/h1-14,16,23,28H,15H2,(H2,25,27)/b26-16+
InChIKeyDPTQVQBGBHBAQB-WGOQTCKBSA-N
XLogP4.81
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.81
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
The IUPAC name of N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide (CID 118714248) is N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide is N/C(CC(O)c1cc2ccccc2c2ccccc12)=N\N=C\c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
The InChIKey is DPTQVQBGBHBAQB-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H21N3O/c25-24(27-26-16-17-8-2-1-3-9-17)15-23(28)22-14-18-10-4-5-11-19(18)20-12-6-7-13-21(20)22/h1-14,16,23,28H,15H2,(H2,25,27)/b26-16+.
What are the key properties of N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide has a molecular weight of 367.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide is sourced from PubChem (CID 118714248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).