N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide

C17H17N3O2 — CID 5334512

IUPACN'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)N/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13(15-10-6-3-7-11-15)19-16(21)17(22)20-18-12-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,21)(H,20,22)/b18-12+
InChIKeyZITPYHPEVWARBW-LDADJPATSA-N
MW295.34 g/mol
LogP2.01
Rot. Bonds4

About N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide

N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide (PubChem CID 5334512) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide
PubChem CID5334512
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)N/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13(15-10-6-3-7-11-15)19-16(21)17(22)20-18-12-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,21)(H,20,22)/b18-12+
InChIKeyZITPYHPEVWARBW-LDADJPATSA-N
XLogP2.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_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'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide (CID 5334512) is N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)N/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide?
The InChIKey is ZITPYHPEVWARBW-LDADJPATSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(15-10-6-3-7-11-15)19-16(21)17(22)20-18-12-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,21)(H,20,22)/b18-12+.
What are the key properties of N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide?
N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide has a molecular weight of 295.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 5334512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).