N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide

C12H15N3O2 — CID 9120782

IUPACN'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C12H15N3O2/c1-7-4-5-8(2)10(6-7)9(3)14-15-12(17)11(13)16/h4-6H,1-3H3,(H2,13,16)(H,15,17)/b14-9-
InChIKeyYPKGWMWNVRDDQV-ZROIWOOFSA-N
MW233.27 g/mol
LogP0.63
Rot. Bonds2

About N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide

N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide (PubChem CID 9120782) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
PubChem CID9120782
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C12H15N3O2/c1-7-4-5-8(2)10(6-7)9(3)14-15-12(17)11(13)16/h4-6H,1-3H3,(H2,13,16)(H,15,17)/b14-9-
InChIKeyYPKGWMWNVRDDQV-ZROIWOOFSA-N
XLogP0.63
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.63
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

ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
CID 9120771
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
3-[2-[N-(carbamoylamino)-C-methylcarbonimidoyl]-4-methylphenyl]butanoic acid
CID 2750665
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
CID 9017468
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
CID 5092659
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide (CID 9120782) is N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide is C/C(=N/NC(=O)C(N)=O)c1cc(C)ccc1C.
What is the InChIKey of N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide?
The InChIKey is YPKGWMWNVRDDQV-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-5-8(2)10(6-7)9(3)14-15-12(17)11(13)16/h4-6H,1-3H3,(H2,13,16)(H,15,17)/b14-9-.
What are the key properties of N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide?
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide has a molecular weight of 233.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 9120782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).