N'-[(E)-benzylideneamino]-N-ethyloxamide

C11H13N3O2 — CID 21212784

IUPACN'-[(E)-benzylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C11H13N3O2/c1-2-12-10(15)11(16)14-13-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,15)(H,14,16)/b13-8+
InChIKeyARHCAQDYMFZHNC-MDWZMJQESA-N
MW219.24 g/mol
LogP0.27
Rot. Bonds3

About N'-[(E)-benzylideneamino]-N-ethyloxamide

N'-[(E)-benzylideneamino]-N-ethyloxamide (PubChem CID 21212784) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-ethyloxamide
PubChem CID21212784
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN'-[(E)-benzylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C11H13N3O2/c1-2-12-10(15)11(16)14-13-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,15)(H,14,16)/b13-8+
InChIKeyARHCAQDYMFZHNC-MDWZMJQESA-N
XLogP0.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.27
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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Related Compounds

2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-[(E)-(4-bromophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5333276
N-allyl-3-[2-(2-fluorobenzylidene)hydrazino]-3-oxopropanamide
CID 5334645
3-[2-(4-fluorobenzylidene)hydrazino]-N-isopropyl-3-oxopropanamide
CID 5335192
N'-(3,4-difluorobenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 6894489
N'-(2,4-difluorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 6894556
2-(4-Fluoro-benzylidene-hydrazinocarbonyl)-N-isobutyl-acetamide
CID 9591591
N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
N-allyl-3-[2-(3-methylbenzylidene)hydrazino]-3-oxopropanamide
CID 9725894
2-(2-Fluoro-benzylidene-hydrazinocarbonyl)-N-isopropyl-acetamide
CID 9591599
N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
CID 5333338

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-ethyloxamide (CID 21212784) is N'-[(E)-benzylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)N/N=C/c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-ethyloxamide?
The InChIKey is ARHCAQDYMFZHNC-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-12-10(15)11(16)14-13-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,15)(H,14,16)/b13-8+.
What are the key properties of N'-[(E)-benzylideneamino]-N-ethyloxamide?
N'-[(E)-benzylideneamino]-N-ethyloxamide has a molecular weight of 219.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-ethyloxamide is sourced from PubChem (CID 21212784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).