N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide

C12H13N3O2 — CID 4123123

IUPACN'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
SMILESCC(C=NNC(=O)C(N)=O)=Cc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-9(7-10-5-3-2-4-6-10)8-14-15-12(17)11(13)16/h2-8H,1H3,(H2,13,16)(H,15,17)
InChIKeyAXVOCGWUKJVVMB-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.68
Rot. Bonds3

About N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide

N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide (PubChem CID 4123123) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide.

Molecular Properties

Compound NameN'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
PubChem CID4123123
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
SMILESCC(C=NNC(=O)C(N)=O)=Cc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-9(7-10-5-3-2-4-6-10)8-14-15-12(17)11(13)16/h2-8H,1H3,(H2,13,16)(H,15,17)
InChIKeyAXVOCGWUKJVVMB-UHFFFAOYSA-N
XLogP0.68
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.68
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'}

Analyze N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
2-hydroxy-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2,2-diphenylacetamide
CID 4156814
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide?
The IUPAC name of N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide (CID 4123123) is N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide.
What is the SMILES notation for N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide?
The canonical SMILES for N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide is CC(C=NNC(=O)C(N)=O)=Cc1ccccc1.
What is the InChIKey of N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide?
The InChIKey is AXVOCGWUKJVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9(7-10-5-3-2-4-6-10)8-14-15-12(17)11(13)16/h2-8H,1H3,(H2,13,16)(H,15,17).
What are the key properties of N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide?
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide has a molecular weight of 231.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide is sourced from PubChem (CID 4123123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).