N'-(benzylideneamino)-N-(2-phenylethyl)oxamide

C17H17N3O2 — CID 3105061

IUPACN'-(benzylideneamino)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(18-12-11-14-7-3-1-4-8-14)17(22)20-19-13-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,18,21)(H,20,22)
InChIKeyQKKLSSJKDLGCQZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.50
Rot. Bonds5

About N'-(benzylideneamino)-N-(2-phenylethyl)oxamide

N'-(benzylideneamino)-N-(2-phenylethyl)oxamide (PubChem CID 3105061) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-(benzylideneamino)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(benzylideneamino)-N-(2-phenylethyl)oxamide
PubChem CID3105061
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN'-(benzylideneamino)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(18-12-11-14-7-3-1-4-8-14)17(22)20-19-13-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,18,21)(H,20,22)
InChIKeyQKKLSSJKDLGCQZ-UHFFFAOYSA-N
XLogP1.50
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.50
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-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
N'-Benzylidene-2-(4-benzyl-1-piperazinyl)acetohydrazide
CID 6885304
2-(cyclohexylamino)-N'-(diphenylmethylene)acetohydrazide
CID 1479790
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
CID 3700372
N'-(diphenylmethylene)-2-(1-pyrrolidinyl)acetohydrazide
CID 3725669
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
N-benzyl-2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetamide
CID 16189572
N,N'-Bis(2-phenylethyl)oxamide
CID 3125336

Frequently Asked Questions

What is the IUPAC name of N'-(benzylideneamino)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(benzylideneamino)-N-(2-phenylethyl)oxamide (CID 3105061) is N'-(benzylideneamino)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(benzylideneamino)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(benzylideneamino)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1.
What is the InChIKey of N'-(benzylideneamino)-N-(2-phenylethyl)oxamide?
The InChIKey is QKKLSSJKDLGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(18-12-11-14-7-3-1-4-8-14)17(22)20-19-13-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,18,21)(H,20,22).
What are the key properties of N'-(benzylideneamino)-N-(2-phenylethyl)oxamide?
N'-(benzylideneamino)-N-(2-phenylethyl)oxamide has a molecular weight of 295.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzylideneamino)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 3105061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).