N'-(benzylideneamino)-N-(3-methylphenyl)oxamide

C16H15N3O2 — CID 4143039

IUPACN'-(benzylideneamino)-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NN=Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-12-6-5-9-14(10-12)18-15(20)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyNNJCDIACBBFKAT-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.08
Rot. Bonds3

About N'-(benzylideneamino)-N-(3-methylphenyl)oxamide

N'-(benzylideneamino)-N-(3-methylphenyl)oxamide (PubChem CID 4143039) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N'-(benzylideneamino)-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(benzylideneamino)-N-(3-methylphenyl)oxamide
PubChem CID4143039
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN'-(benzylideneamino)-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NN=Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-12-6-5-9-14(10-12)18-15(20)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyNNJCDIACBBFKAT-UHFFFAOYSA-N
XLogP2.08
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.08
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'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
N-(3-methylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988901
[4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 6185422
2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8897867
[4-[[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 4197160
N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 4536785
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126171248

Frequently Asked Questions

What is the IUPAC name of N'-(benzylideneamino)-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-(benzylideneamino)-N-(3-methylphenyl)oxamide (CID 4143039) is N'-(benzylideneamino)-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-(benzylideneamino)-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-(benzylideneamino)-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NN=Cc2ccccc2)c1.
What is the InChIKey of N'-(benzylideneamino)-N-(3-methylphenyl)oxamide?
The InChIKey is NNJCDIACBBFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-6-5-9-14(10-12)18-15(20)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(benzylideneamino)-N-(3-methylphenyl)oxamide?
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide has a molecular weight of 281.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzylideneamino)-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 4143039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).