N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide

C12H15N3O2 — CID 6380385

IUPACN'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
SMILESCC/C(=N\NC(=O)C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H15N3O2/c1-3-10(14-15-12(17)11(13)16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,16)(H,15,17)/b14-10+
InChIKeyHPWNOQVIAXBDFP-GXDHUFHOSA-N
MW233.27 g/mol
LogP0.71
Rot. Bonds3

About N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide

N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide (PubChem CID 6380385) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
PubChem CID6380385
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
SMILESCC/C(=N\NC(=O)C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H15N3O2/c1-3-10(14-15-12(17)11(13)16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,16)(H,15,17)/b14-10+
InChIKeyHPWNOQVIAXBDFP-GXDHUFHOSA-N
XLogP0.71
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.71
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

N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
CID 9074587
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531
[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea
CID 4087123
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide?
The IUPAC name of N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide (CID 6380385) is N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide?
The canonical SMILES for N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide is CC/C(=N\NC(=O)C(N)=O)c1ccc(C)cc1.
What is the InChIKey of N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide?
The InChIKey is HPWNOQVIAXBDFP-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-10(14-15-12(17)11(13)16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,16)(H,15,17)/b14-10+.
What are the key properties of N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide?
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide has a molecular weight of 233.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide is sourced from PubChem (CID 6380385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).